data_cx1137
_audit_creation_date               2020-04-01
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2017/1'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C56 H48 N4, 4(F6 P)'
_chemical_formula_sum              'C56 H48 F24 N4 P4'
_chemical_formula_weight           1356.86
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'F' 'F' 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P' 'P' 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             14
_space_group_name_H-M_alt          'P 1 21/c 1'
_space_group_name_Hall             '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                     19.621(8)
_cell_length_b                     12.649(4)
_cell_length_c                     14.500(5)
_cell_angle_alpha                  90
_cell_angle_beta                   107.270(15)
_cell_angle_gamma                  90
_cell_volume                       3437(2)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      806
_cell_measurement_temperature      100(2)
_cell_measurement_theta_max        42.487
_cell_measurement_theta_min        2.358
_shelx_estimated_absorpt_T_max     0.950
_shelx_estimated_absorpt_T_min     0.789
_exptl_absorpt_coefficient_mu      1.934
_exptl_absorpt_correction_T_max    0.7500
_exptl_absorpt_correction_T_min    0.4211
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details    
 'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1610 before and 0.0668 after correction. The Ratio of minimum to maximum transmission is 0.5391. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              yellow
_exptl_crystal_colour_primary      yellow
_exptl_crystal_density_diffrn      1.311
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         plate
_exptl_crystal_F_000               1376
_exptl_crystal_recrystallization_method 
 'The material was recrystallised from --- by as supplied'
_exptl_crystal_size_max            0.129
_exptl_crystal_size_mid            0.105
_exptl_crystal_size_min            0.027
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.1535
_diffrn_reflns_av_unetI/netI       0.1765
_diffrn_reflns_Laue_measured_fraction_full  0.950
_diffrn_reflns_Laue_measured_fraction_max  0.950
_diffrn_reflns_limit_h_max         17
_diffrn_reflns_limit_h_min         -15
_diffrn_reflns_limit_k_max         11
_diffrn_reflns_limit_k_min         -11
_diffrn_reflns_limit_l_max         11
_diffrn_reflns_limit_l_min         -13
_diffrn_reflns_number              7256
_diffrn_reflns_point_group_measured_fraction_full  0.950
_diffrn_reflns_point_group_measured_fraction_max  0.950
_diffrn_reflns_theta_full          44.492
_diffrn_reflns_theta_max           44.492
_diffrn_reflns_theta_min           2.358
_diffrn_ambient_temperature        100.03
_diffrn_detector_area_resol_mean   8
_diffrn_measured_fraction_theta_full  0.950
_diffrn_measured_fraction_theta_max  0.950
_diffrn_measurement_device_type    'Bruker Kappa APEX CCD area detector'
_diffrn_measurement_method         'ω and φ scans'
_diffrn_radiation_monochromator    'MX optics'
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54178
_diffrn_source                     microsource
_diffrn_standards_number           .
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  1112
_reflns_number_total               2571
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'SAINT V8.38A (?, 2016)'
_computing_data_collection         'APEX2 V2014.11-0 (Bruker, 2014)'
_computing_data_reduction          'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'XL (Sheldrick, 2008)'
_computing_structure_solution      'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max           0.505
_refine_diff_density_min           -0.439
_refine_diff_density_rms           0.100
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.154
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       453
_refine_ls_number_reflns           2571
_refine_ls_number_restraints       553
_refine_ls_R_factor_all            0.2320
_refine_ls_R_factor_gt             0.1395
_refine_ls_restrained_S_all        1.084
_refine_ls_shift/su_max            0.000
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.3455
_refine_ls_wR_factor_ref           0.4034
_refine_special_details           
 'Rigid bond restraints (esd 0.01) were imposed on the displacement parameters as well as restraints on similar amplitudes (esd 0.05) separated by less than 1.7 Ang. globally. Distance restraints were imposed on the disordered atoms.'
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C15-C14 \\sim C23A-C22A \\sim C23-C22
 with sigma of 0.01
 C14-C11 \\sim C16-C15 \\sim C22A-C19 \\sim C22-C19 \\sim C24-C23 \\sim
C24-C23A \\sim C14-C11 \\sim C16-C15
 with sigma of 0.01
3. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
5. Others
 Sof(F9A)=Sof(F10A)=Sof(F11A)=Sof(F12A)=1-FVAR(1)
 Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=FVAR(1)
 Sof(C22A)=Sof(H22A)=Sof(C23A)=Sof(H23A)=1-FVAR(2)
 Sof(C22)=Sof(H22)=Sof(C23)=Sof(H23)=FVAR(2)
6.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C8(H8A,H8B)
6.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C9(H9), C10(H10), C12(H12), C13(H13),
 C14(H14), C15(H15), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22),
 C22A(H22A), C23(H23), C23A(H23A), C25(H25), C26(H26), C27(H27), C28(H28)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 N1 N 0.0508(12) 0.6270(14) 0.2584(14) 0.102(4) Uani 1 1 d . U . . .
 N2 N 0.7527(12) -0.0373(11) 0.6270(15) 0.096(4) Uani 1 1 d . U . . .
 C1 C 0.1760(13) 1.0742(14) 0.3261(15) 0.086(5) Uani 1 1 d . U . . .
 H1A H 0.161306 1.121072 0.371472 0.104 Uiso 1 1 calc R . . . .
 H1B H 0.177103 1.117590 0.269730 0.104 Uiso 1 1 calc R . . . .
 C2 C 0.1226(14) 0.9941(16) 0.2936(17) 0.089(4) Uani 1 1 d . U . . .
 C3 C 0.1071(13) 0.9494(16) 0.2044(16) 0.092(4) Uani 1 1 d . U . . .
 H3 H 0.127562 0.978487 0.158305 0.110 Uiso 1 1 calc R . . . .
 C4 C 0.0633(13) 0.8642(16) 0.1793(17) 0.097(5) Uani 1 1 d . U . . .
 H4 H 0.051952 0.836837 0.115558 0.117 Uiso 1 1 calc R . . . .
 C5 C 0.0351(13) 0.8171(16) 0.2457(17) 0.093(4) Uani 1 1 d . U . . .
 C6 C 0.0482(13) 0.8613(16) 0.3356(16) 0.092(4) Uani 1 1 d . U . . .
 H6 H 0.026939 0.831977 0.380760 0.111 Uiso 1 1 calc R . . . .
 C7 C 0.0929(12) 0.9496(15) 0.3612(15) 0.090(4) Uani 1 1 d . U . . .
 H7 H 0.102948 0.979104 0.424083 0.108 Uiso 1 1 calc R . . . .
 C8 C -0.0007(14) 0.7063(16) 0.2258(17) 0.105(4) Uani 1 1 d . U . . .
 H8A H -0.037653 0.700018 0.259492 0.126 Uiso 1 1 calc R . . . .
 H8B H -0.024219 0.697662 0.155692 0.126 Uiso 1 1 calc R . . . .
 C9 C 0.0872(15) 0.5991(16) 0.1961(19) 0.107(5) Uani 1 1 d . U . . .
 H9 H 0.074091 0.627023 0.132423 0.128 Uiso 1 1 calc R . . . .
 C10 C 0.1436(14) 0.5298(16) 0.2265(19) 0.112(5) Uani 1 1 d . U . . .
 H10 H 0.170071 0.510713 0.183783 0.134 Uiso 1 1 calc R . . . .
 C11 C 0.1625(14) 0.4863(15) 0.3216(19) 0.113(4) Uani 1 1 d D U . . .
 C12 C 0.1196(15) 0.5152(16) 0.3761(19) 0.109(5) Uani 1 1 d . U . . .
 H12 H 0.128775 0.484685 0.438472 0.130 Uiso 1 1 calc R . . . .
 C13 C 0.0655(14) 0.5837(16) 0.3475(18) 0.106(5) Uani 1 1 d . U . . .
 H13 H 0.037823 0.601607 0.388978 0.127 Uiso 1 1 calc R . . . .
 C14 C 0.2274(14) 0.4145(15) 0.388(2) 0.121(5) Uani 1 1 d D U . . .
 H14 H 0.236854 0.397050 0.454275 0.145 Uiso 1 1 calc R . . . .
 C15 C 0.2611(15) 0.3882(18) 0.333(2) 0.129(5) Uani 1 1 d D U . . .
 H15 H 0.251441 0.401764 0.266377 0.154 Uiso 1 1 calc R . . . .
 C16 C 0.3269(16) 0.324(2) 0.406(3) 0.143(5) Uani 1 1 d D U . . .
 C17 C 0.3615(18) 0.2731(19) 0.346(3) 0.150(5) Uani 1 1 d . U . . .
 H17 H 0.346508 0.283929 0.277687 0.180 Uiso 1 1 calc R . . . .
 C18 C 0.4194(17) 0.2056(19) 0.390(3) 0.147(5) Uani 1 1 d . U . . .
 H18 H 0.442040 0.170621 0.349295 0.176 Uiso 1 1 calc R . . . .
 C19 C 0.4469(17) 0.1854(19) 0.492(3) 0.134(5) Uani 1 1 d D U . . .
 C20 C 0.4106(17) 0.2346(19) 0.537(2) 0.141(5) Uani 1 1 d . U . . .
 H20 H 0.423801 0.222392 0.604808 0.170 Uiso 1 1 calc R . . . .
 C21 C 0.3530(17) 0.3055(19) 0.500(2) 0.142(5) Uani 1 1 d . U . . .
 H21 H 0.332716 0.340658 0.543940 0.171 Uiso 1 1 calc R . . . .
 C22 C 0.494(2) 0.081(2) 0.534(3) 0.123(5) Uani 0.64(2) 1 d D U P A -2
 H22 H 0.492197 0.049009 0.592061 0.148 Uiso 0.64(2) 1 calc R . P A -2
 C22A C 0.5300(18) 0.153(5) 0.537(5) 0.124(5) Uani 0.36(2) 1 d D U P A -1
 H22A H 0.558210 0.162943 0.602309 0.148 Uiso 0.36(2) 1 calc R . P A -1
 C23 C 0.5328(17) 0.044(3) 0.488(3) 0.120(5) Uani 0.64(2) 1 d D U P A -2
 H23 H 0.510810 0.013867 0.426763 0.144 Uiso 0.64(2) 1 calc R . P A -2
 C23A C 0.550(3) 0.114(5) 0.472(4) 0.120(5) Uani 0.36(2) 1 d D U P A -1
 H23A H 0.529859 0.123222 0.404561 0.144 Uiso 0.36(2) 1 calc R . P A -1
 C24 C 0.6189(16) 0.0442(16) 0.529(2) 0.113(4) Uani 1 1 d D U . . .
 C25 C 0.6641(16) 0.0041(16) 0.483(2) 0.110(5) Uani 1 1 d . U . . .
 H25 H 0.649050 0.004225 0.414094 0.132 Uiso 1 1 calc R . . . .
 C26 C 0.7287(16) -0.0356(15) 0.528(2) 0.104(5) Uani 1 1 d . U . . .
 H26 H 0.757850 -0.062762 0.492119 0.124 Uiso 1 1 calc R . . . .
 C27 C 0.7098(15) 0.0048(15) 0.6752(19) 0.106(5) Uani 1 1 d . U . . .
 H27 H 0.727164 0.005791 0.743716 0.127 Uiso 1 1 calc R . . . .
 C28 C 0.6429(15) 0.0464(15) 0.633(2) 0.106(5) Uani 1 1 d . U . . .
 H28 H 0.614575 0.074806 0.669664 0.128 Uiso 1 1 calc R . . . .
 P2 P 0.1270(4) 0.2462(4) 0.5656(4) 0.0668(18) Uani 1 1 d . U . . .
 F7 F 0.1229(6) 0.2268(6) 0.6705(7) 0.074(3) Uani 1 1 d . U . . .
 F8 F 0.1339(6) 0.2641(6) 0.4610(7) 0.074(3) Uani 1 1 d . U . . .
 F9 F 0.0671(11) 0.3384(13) 0.5526(12) 0.076(4) Uani 0.77(2) 1 d . U P B 1
 F9A F 0.052(4) 0.289(5) 0.533(4) 0.075(5) Uani 0.23(2) 1 d . U P B 2
 F10 F 0.1892(11) 0.3343(12) 0.6058(13) 0.078(4) Uani 0.77(2) 1 d . U P B 1
 F10A F 0.147(5) 0.349(4) 0.593(5) 0.074(5) Uani 0.23(2) 1 d . U P B 2
 F11 F 0.1827(11) 0.1564(13) 0.5780(12) 0.074(4) Uani 0.77(2) 1 d . U P B 1
 F11A F 0.207(4) 0.203(4) 0.611(4) 0.072(6) Uani 0.23(2) 1 d . U P B 2
 F12 F 0.0649(11) 0.1619(12) 0.5237(11) 0.072(4) Uani 0.77(2) 1 d . U P B 1
 F12A F 0.103(4) 0.123(4) 0.539(4) 0.070(6) Uani 0.23(2) 1 d . U P B 2
 P1 P 0.2321(8) 0.7304(6) 0.5630(9) 0.171(4) Uani 1 1 d . U . . .
 F1 F 0.1483(11) 0.7079(11) 0.5282(12) 0.160(5) Uani 1 1 d . U . . .
 F2 F 0.3191(12) 0.7527(12) 0.5948(15) 0.199(6) Uani 1 1 d . U . . .
 F3 F 0.2340(12) 0.7106(13) 0.6740(16) 0.211(6) Uani 1 1 d . U . . .
 F4 F 0.2171(10) 0.8475(10) 0.5824(11) 0.161(5) Uani 1 1 d . U . . .
 F5 F 0.2315(10) 0.7574(12) 0.4544(13) 0.170(5) Uani 1 1 d . U . . .
 F6 F 0.2523(12) 0.6077(12) 0.5529(17) 0.239(7) Uani 1 1 d . U . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 N1 C8 1.40(3) . ?
 N1 C9 1.35(3) . ?
 N1 C13 1.35(3) . ?
 N2 C1 1.44(3) 3_666 ?
 N2 C26 1.36(3) . ?
 N2 C27 1.35(3) . ?
 C1 C2 1.43(3) . ?
 C2 C3 1.36(3) . ?
 C2 C7 1.40(3) . ?
 C3 C4 1.36(3) . ?
 C4 C5 1.38(3) . ?
 C5 C6 1.37(3) . ?
 C5 C8 1.56(3) . ?
 C6 C7 1.40(3) . ?
 C9 C10 1.38(3) . ?
 C10 C11 1.43(3) . ?
 C11 C12 1.36(3) . ?
 C11 C14 1.63(2) . ?
 C12 C13 1.34(3) . ?
 C14 C15 1.22(2) . ?
 C15 C16 1.62(2) . ?
 C16 C17 1.41(4) . ?
 C16 C21 1.33(4) . ?
 C17 C18 1.42(3) . ?
 C18 C19 1.43(4) . ?
 C19 C20 1.27(3) . ?
 C19 C22 1.62(2) . ?
 C19 C22A 1.62(2) . ?
 C20 C21 1.42(3) . ?
 C22 C23 1.23(2) . ?
 C22A C23A 1.23(2) . ?
 C23 C24 1.62(2) . ?
 C23A C24 1.62(2) . ?
 C24 C25 1.36(3) . ?
 C24 C28 1.44(3) . ?
 C25 C26 1.34(3) . ?
 C27 C28 1.38(3) . ?
 P2 F7 1.567(10) . ?
 P2 F8 1.578(10) . ?
 P2 F9 1.626(18) . ?
 P2 F9A 1.51(7) . ?
 P2 F10 1.629(17) . ?
 P2 F10A 1.39(6) . ?
 P2 F11 1.549(16) . ?
 P2 F11A 1.61(6) . ?
 P2 F12 1.597(16) . ?
 P2 F12A 1.64(5) . ?
 P1 F1 1.60(2) . ?
 P1 F2 1.65(2) . ?
 P1 F3 1.62(2) . ?
 P1 F4 1.551(15) . ?
 P1 F5 1.607(18) . ?
 P1 F6 1.619(18) . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 C9 N1 C8 116(2) . . ?
 C13 N1 C8 123(2) . . ?
 C13 N1 C9 122(2) . . ?
 C26 N2 C1 119(2) . 3_666 ?
 C27 N2 C1 123(2) . 3_666 ?
 C27 N2 C26 117(2) . . ?
 C2 C1 N2 116.1(17) . 3_666 ?
 C3 C2 C1 123(2) . . ?
 C3 C2 C7 118(2) . . ?
 C7 C2 C1 118(2) . . ?
 C4 C3 C2 122(2) . . ?
 C3 C4 C5 121(2) . . ?
 C4 C5 C8 121(2) . . ?
 C6 C5 C4 119(2) . . ?
 C6 C5 C8 119(2) . . ?
 C5 C6 C7 120(2) . . ?
 C2 C7 C6 120(2) . . ?
 N1 C8 C5 110(2) . . ?
 N1 C9 C10 119(3) . . ?
 C9 C10 C11 121(2) . . ?
 C10 C11 C14 136(3) . . ?
 C12 C11 C10 115(2) . . ?
 C12 C11 C14 108(2) . . ?
 C13 C12 C11 124(3) . . ?
 C12 C13 N1 119(3) . . ?
 C15 C14 C11 104(3) . . ?
 C14 C15 C16 101(3) . . ?
 C17 C16 C15 105(3) . . ?
 C21 C16 C15 138(3) . . ?
 C21 C16 C17 117(3) . . ?
 C16 C17 C18 117(3) . . ?
 C17 C18 C19 126(3) . . ?
 C18 C19 C22 122(3) . . ?
 C18 C19 C22A 119(4) . . ?
 C20 C19 C18 110(3) . . ?
 C20 C19 C22 124(3) . . ?
 C20 C19 C22A 124(4) . . ?
 C19 C20 C21 129(3) . . ?
 C16 C21 C20 121(3) . . ?
 C23 C22 C19 119(4) . . ?
 C23A C22A C19 108(4) . . ?
 C22 C23 C24 123(4) . . ?
 C22A C23A C24 104(4) . . ?
 C25 C24 C23 126(3) . . ?
 C25 C24 C23A 121(3) . . ?
 C25 C24 C28 118(3) . . ?
 C28 C24 C23 111(3) . . ?
 C28 C24 C23A 119(3) . . ?
 C26 C25 C24 124(3) . . ?
 C25 C26 N2 120(3) . . ?
 N2 C27 C28 125(3) . . ?
 C27 C28 C24 116(2) . . ?
 F7 P2 F8 177.9(8) . . ?
 F7 P2 F9 88.9(7) . . ?
 F7 P2 F10 90.4(8) . . ?
 F7 P2 F11A 82.7(19) . . ?
 F7 P2 F12 90.7(7) . . ?
 F7 P2 F12A 90(2) . . ?
 F8 P2 F9 92.9(7) . . ?
 F8 P2 F10 88.6(7) . . ?
 F8 P2 F11A 95.2(19) . . ?
 F8 P2 F12 90.3(7) . . ?
 F8 P2 F12A 90(2) . . ?
 F9 P2 F10 89.4(8) . . ?
 F9A P2 F7 92(2) . . ?
 F9A P2 F8 90(2) . . ?
 F9A P2 F11A 174(3) . . ?
 F9A P2 F12A 95(3) . . ?
 F10A P2 F7 88(3) . . ?
 F10A P2 F8 92(3) . . ?
 F10A P2 F9A 85(3) . . ?
 F10A P2 F11A 92(4) . . ?
 F10A P2 F12A 177(3) . . ?
 F11 P2 F7 90.5(7) . . ?
 F11 P2 F8 87.6(7) . . ?
 F11 P2 F9 178.7(10) . . ?
 F11 P2 F10 91.8(9) . . ?
 F11 P2 F12 89.2(8) . . ?
 F11A P2 F12A 87(3) . . ?
 F12 P2 F9 89.6(9) . . ?
 F12 P2 F10 178.4(9) . . ?
 F1 P1 F2 177.9(12) . . ?
 F1 P1 F3 90.2(11) . . ?
 F1 P1 F5 91.2(11) . . ?
 F1 P1 F6 93.3(11) . . ?
 F3 P1 F2 91.8(13) . . ?
 F3 P1 F6 90.4(12) . . ?
 F4 P1 F1 89.7(11) . . ?
 F4 P1 F2 91.3(10) . . ?
 F4 P1 F3 85.2(10) . . ?
 F4 P1 F5 91.7(9) . . ?
 F4 P1 F6 174.7(14) . . ?
 F5 P1 F2 86.8(11) . . ?
 F5 P1 F3 176.5(10) . . ?
 F5 P1 F6 92.6(12) . . ?
 F6 P1 F2 85.9(12) . . ?

_smtbx_masks_special_details
;
The solvent masking procedure as implemented in Olex2 was used to remove the
electronic contribution of solvent molecules from the refinement.  As the exact
solvent content is not known, only the atoms used in the refinement model are
reported in the formula here.


Total solvent accessible volume / cell = 693.0 Ang³ [20.2%]
Total electron count / cell = 247.0
;
loop_
  _smtbx_masks_void_nr
  _smtbx_masks_void_average_x
  _smtbx_masks_void_average_y
  _smtbx_masks_void_average_z
  _smtbx_masks_void_volume
  _smtbx_masks_void_count_electrons
  _smtbx_masks_void_content
 1 0.500 -0.105 -0.495 693.0 247.0 ?

_olex2_date_sample_data_collection  2018-01-12
_olex2_date_sample_submission      2017-12-06
_olex2_diffrn_ambient_temperature_device  'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method 
 'The crystal was mounted on a MITIGEN holder in Paratone oil'
_olex2_submission_original_sample_id  cx1137
_olex2_submission_special_instructions  'No special instructions were received'
_vrf_PLAT088_cx1137
;
PROBLEM: Poor Data / Parameter Ratio .................... 5.68 Note
RESPONSE: Despite long exposure times, the crystal did not exhibit 
observable intensity to a resolution higher than 1.1 Angstrom 
;
_vrf_PLAT410_cx1137
;
PROBLEM: Short Intra H...H Contact H30 ..H23A . 1.74 Ang.
RESPONSE: This interaction is with the disordered part of the 
molecule and should be taken with care.
;
_vrf_REFNR01_cx1137
;
PROBLEM: Ratio of reflections to parameters is < 6 for a
RESPONSE: Despite long exposure times, the crystal did not exhibit 
observable intensity to a resolution higher than 1.1 Angstrom 
;
_vrf_THETM01_cx1137
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: Despite long exposure times, the crystal did not exhibit 
observable intensity to a resolution higher than 1.1 Angstrom 
;
