data_210928b_auto
_audit_creation_date               2021-10-04
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6403)
;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Bourhis, L.J., Dolomanov, O.V., Gildea, R.J., Howard, J.A.K., Puschmann, H.
 (2015). Acta Cryst. A71, 59-75.

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. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C23 H19 N O3'
_chemical_formula_sum              'C23 H19 N O3'
_chemical_formula_weight           357.39
_chemical_melting_point            ?
_chemical_oxdiff_formula           CNO
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'
 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0492 0.0322 '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        'orthorhombic'
_space_group_IT_number             61
_space_group_name_H-M_alt          'P b c a'
_space_group_name_Hall             '-P 2ac 2ab'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, -y, z+1/2'
 'x+1/2, -y+1/2, -z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, y, -z-1/2'
 '-x-1/2, y-1/2, z'
 'x, -y-1/2, z-1/2'

_cell_length_a                     11.3764(4)
_cell_length_b                     15.4425(5)
_cell_length_c                     19.9626(6)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       3507.02(19)
_cell_formula_units_Z              8
_cell_measurement_reflns_used      3749
_cell_measurement_temperature      173
_cell_measurement_theta_max        73.0840
_cell_measurement_theta_min        5.2650
_shelx_estimated_absorpt_T_max     0.986
_shelx_estimated_absorpt_T_min     0.972
_exptl_absorpt_coefficient_mu      0.722
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.52423
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.112a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'metallic blackish black'
_exptl_crystal_colour_lustre       metallic
_exptl_crystal_colour_modifier     blackish
_exptl_crystal_colour_primary      black
_exptl_crystal_density_diffrn      1.354
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         needle
_exptl_crystal_F_000               1504
_exptl_crystal_size_max            0.04
_exptl_crystal_size_mid            0.02
_exptl_crystal_size_min            0.02
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0499
_diffrn_reflns_av_unetI/netI       0.0484
_diffrn_reflns_Laue_measured_fraction_full  0.987
_diffrn_reflns_Laue_measured_fraction_max  0.987
_diffrn_reflns_limit_h_max         13
_diffrn_reflns_limit_h_min         -13
_diffrn_reflns_limit_k_max         18
_diffrn_reflns_limit_k_min         -17
_diffrn_reflns_limit_l_max         21
_diffrn_reflns_limit_l_min         -23
_diffrn_reflns_number              11397
_diffrn_reflns_point_group_measured_fraction_full  0.987
_diffrn_reflns_point_group_measured_fraction_max  0.987
_diffrn_reflns_theta_full          67.074
_diffrn_reflns_theta_max           67.074
_diffrn_reflns_theta_min           4.430
_diffrn_ambient_temperature        173
_diffrn_detector                   'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean   10.0000
_diffrn_detector_type              HyPix
_diffrn_measured_fraction_theta_full  0.987
_diffrn_measured_fraction_theta_max  0.987
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    131.00 177.00   1.00    8.70    --  106.49  38.00 150.00   46
  2  ω     95.00 178.00   1.00    8.70    --  106.49  19.00  90.00   83
  3  ω    105.00 137.00   1.00    8.70    --  106.49  61.00-112.00   32
  4  ω     38.00  65.00   1.00    8.70    --  106.49 -57.00 -30.00   27
  5  ω     43.00  71.00   1.00    8.70    --  106.49 -61.00 109.00   28
  6  ω    -26.00  26.00   1.00    1.60    --   48.20 -19.00  30.00   52
  7  ω   -120.00 -74.00   1.00    1.60    --  -48.20-125.00  60.00   46
  8  ω   -153.00 -81.00   1.00    8.70    --  -86.25 -84.00  -2.00   72
  9  ω   -119.00 -73.00   1.00    1.60    --  -48.20-125.00 -60.00   46
 10  ω   -155.00 -71.00   1.00    8.70    --  -86.25 -77.00-115.00   84
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        0.0970843000
_diffrn_orient_matrix_UB_12        -0.0507882000
_diffrn_orient_matrix_UB_13        -0.0367794000
_diffrn_orient_matrix_UB_21        -0.0027381000
_diffrn_orient_matrix_UB_22        0.0666318000
_diffrn_orient_matrix_UB_23        -0.0574109000
_diffrn_orient_matrix_UB_31        0.0944467000
_diffrn_orient_matrix_UB_32        0.0541391000
_diffrn_orient_matrix_UB_33        0.0361004000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             'Cu K\a'
_diffrn_radiation_wavelength       1.54184
_diffrn_source                     'micro-focus sealed X-ray tube'
_diffrn_source_type                'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  2614
_reflns_number_total               3088
_reflns_odcompleteness_completeness  98.70
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       66.97
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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         'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_collection         'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_reduction          'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_molecular_graphics      'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution      'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max           0.224
_refine_diff_density_min           -0.188
_refine_diff_density_rms           0.042
_refine_ls_extinction_coef         0.00039(11)
_refine_ls_extinction_expression  
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_extinction_method       'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref     1.118
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       248
_refine_ls_number_reflns           3088
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0691
_refine_ls_R_factor_gt             0.0573
_refine_ls_restrained_S_all        1.118
_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)+(0.0390P)²+2.4850P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1225
_refine_ls_wR_factor_ref           0.1285
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C12(H12), C13(H13), C14(H14),
 C16(H16), C19(H19)
2.b Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       iterative
_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
 O1 O 0.07513(13) 0.10855(9) 0.60621(7) 0.0318(4) Uani 1 1 d . . . . .
 O2 O -0.09260(14) -0.24641(10) 0.58665(8) 0.0377(4) Uani 1 1 d . . . . .
 C1 C -0.14350(19) -0.19940(14) 0.62645(10) 0.0285(5) Uani 1 1 d . . . . .
 C2 C 0.25231(19) -0.02739(14) 0.49223(11) 0.0297(5) Uani 1 1 d . . . . .
 O3 O -0.23071(15) -0.01016(10) 0.71639(8) 0.0409(4) Uani 1 1 d . . . . .
 C3 C -0.05002(19) -0.04325(14) 0.61990(11) 0.0290(5) Uani 1 1 d . . . . .
 H3 H -0.067228 0.011925 0.638528 0.035 Uiso 1 1 calc R U . . .
 C4 C 0.34972(19) -0.01920(15) 0.44995(11) 0.0338(5) Uani 1 1 d . . . . .
 H4 H 0.378528 -0.068909 0.427223 0.041 Uiso 1 1 calc R U . . .
 C5 C -0.4048(2) -0.25708(15) 0.77042(13) 0.0392(6) Uani 1 1 d . . . . .
 H5 H -0.461985 -0.267632 0.804123 0.047 Uiso 1 1 calc R U . . .
 C6 C 0.3624(2) 0.13335(16) 0.47685(12) 0.0366(6) Uani 1 1 d . . . . .
 H6 H 0.400018 0.187892 0.471935 0.044 Uiso 1 1 calc R U . . .
 C7 C 0.0936(2) -0.11388(14) 0.53937(11) 0.0318(5) Uani 1 1 d . . . . .
 H7 H 0.053708 -0.167778 0.542238 0.038 Uiso 1 1 calc R U . . .
 C8 C 0.4058(2) 0.06070(15) 0.44034(11) 0.0337(5) Uani 1 1 d . . . . .
 N1 N 0.49797(18) 0.06987(14) 0.39728(11) 0.0442(5) Uani 1 1 d . . . . .
 C9 C -0.23779(18) -0.22997(13) 0.67280(11) 0.0274(5) Uani 1 1 d . . . . .
 C10 C 0.11189(19) 0.03680(13) 0.57063(11) 0.0289(5) Uani 1 1 d . . . . .
 C11 C 0.1423(2) 0.12178(16) 0.66626(12) 0.0410(6) Uani 1 1 d . . . . .
 H11A H 0.226007 0.125419 0.654984 0.062 Uiso 1 1 calc R U . . .
 H11B H 0.129398 0.073183 0.696969 0.062 Uiso 1 1 calc R U . . .
 H11C H 0.117375 0.175756 0.687816 0.062 Uiso 1 1 calc R U . . .
 C12 C -0.3660(2) -0.32491(15) 0.73109(12) 0.0364(5) Uani 1 1 d . . . . .
 H12 H -0.397705 -0.381129 0.738022 0.044 Uiso 1 1 calc R U . . .
 C13 C 0.2684(2) 0.12642(15) 0.51850(12) 0.0345(5) Uani 1 1 d . . . . .
 H13 H 0.241273 0.176244 0.541739 0.041 Uiso 1 1 calc R U . . .
 C14 C 0.1909(2) -0.10711(15) 0.50011(11) 0.0329(5) Uani 1 1 d . . . . .
 H14 H 0.218743 -0.157040 0.477269 0.039 Uiso 1 1 calc R U . . .
 C15 C -0.12665(19) -0.10575(14) 0.64082(11) 0.0285(5) Uani 1 1 d . . . . .
 C16 C -0.3616(2) -0.17368(15) 0.76157(12) 0.0376(6) Uani 1 1 d . . . . .
 H16 H -0.388546 -0.126878 0.788377 0.045 Uiso 1 1 calc R U . . .
 C17 C 0.21002(19) 0.04622(14) 0.52793(11) 0.0292(5) Uani 1 1 d . . . . .
 C18 C 0.05049(19) -0.04136(14) 0.57636(11) 0.0289(5) Uani 1 1 d . . . . .
 C19 C -0.2822(2) -0.31276(14) 0.68183(12) 0.0332(5) Uani 1 1 d . . . . .
 H19 H -0.255748 -0.359710 0.655007 0.040 Uiso 1 1 calc R U . . .
 C20 C -0.21441(19) -0.08183(14) 0.69225(11) 0.0306(5) Uani 1 1 d . . . . .
 C21 C 0.5581(2) 0.15189(19) 0.38967(15) 0.0534(7) Uani 1 1 d . . . . .
 H21A H 0.504137 0.194587 0.370396 0.080 Uiso 1 1 calc R U . . .
 H21B H 0.625884 0.144481 0.359887 0.080 Uiso 1 1 calc R U . . .
 H21C H 0.585162 0.172121 0.433582 0.080 Uiso 1 1 calc R U . . .
 C22 C -0.27759(19) -0.16142(14) 0.71205(11) 0.0298(5) Uani 1 1 d . . . . .
 C23 C 0.5356(2) -0.00336(19) 0.35698(14) 0.0520(7) Uani 1 1 d . . . . .
 H23A H 0.562397 -0.050135 0.386426 0.078 Uiso 1 1 calc R U . . .
 H23B H 0.600157 0.014510 0.327580 0.078 Uiso 1 1 calc R U . . .
 H23C H 0.469544 -0.023871 0.329735 0.078 Uiso 1 1 calc R 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
 O1 C10 1.381(3) . ?
 O1 C11 1.436(3) . ?
 O2 C1 1.222(3) . ?
 C1 C9 1.493(3) . ?
 C1 C15 1.487(3) . ?
 C2 C4 1.399(3) . ?
 C2 C14 1.424(3) . ?
 C2 C17 1.425(3) . ?
 O3 C20 1.221(3) . ?
 C3 H3 0.9500 . ?
 C3 C15 1.366(3) . ?
 C3 C18 1.437(3) . ?
 C4 H4 0.9500 . ?
 C4 C8 1.402(3) . ?
 C5 H5 0.9500 . ?
 C5 C12 1.381(3) . ?
 C5 C16 1.390(3) . ?
 C6 H6 0.9500 . ?
 C6 C8 1.426(3) . ?
 C6 C13 1.358(3) . ?
 C7 H7 0.9500 . ?
 C7 C14 1.360(3) . ?
 C7 C18 1.429(3) . ?
 C8 N1 1.363(3) . ?
 N1 C21 1.448(3) . ?
 N1 C23 1.452(3) . ?
 C9 C19 1.386(3) . ?
 C9 C22 1.393(3) . ?
 C10 C17 1.412(3) . ?
 C10 C18 1.399(3) . ?
 C11 H11A 0.9800 . ?
 C11 H11B 0.9800 . ?
 C11 H11C 0.9800 . ?
 C12 H12 0.9500 . ?
 C12 C19 1.383(3) . ?
 C13 H13 0.9500 . ?
 C13 C17 1.418(3) . ?
 C14 H14 0.9500 . ?
 C15 C20 1.479(3) . ?
 C16 H16 0.9500 . ?
 C16 C22 1.388(3) . ?
 C19 H19 0.9500 . ?
 C20 C22 1.478(3) . ?
 C21 H21A 0.9800 . ?
 C21 H21B 0.9800 . ?
 C21 H21C 0.9800 . ?
 C23 H23A 0.9800 . ?
 C23 H23B 0.9800 . ?
 C23 H23C 0.9800 . ?

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
 C10 O1 C11 112.47(17) . . ?
 O2 C1 C9 123.74(19) . . ?
 O2 C1 C15 130.0(2) . . ?
 C15 C1 C9 106.29(17) . . ?
 C4 C2 C14 122.2(2) . . ?
 C4 C2 C17 119.8(2) . . ?
 C14 C2 C17 117.9(2) . . ?
 C15 C3 H3 112.5 . . ?
 C15 C3 C18 135.0(2) . . ?
 C18 C3 H3 112.5 . . ?
 C2 C4 H4 119.2 . . ?
 C2 C4 C8 121.5(2) . . ?
 C8 C4 H4 119.2 . . ?
 C12 C5 H5 119.4 . . ?
 C12 C5 C16 121.2(2) . . ?
 C16 C5 H5 119.4 . . ?
 C8 C6 H6 119.2 . . ?
 C13 C6 H6 119.2 . . ?
 C13 C6 C8 121.6(2) . . ?
 C14 C7 H7 119.4 . . ?
 C14 C7 C18 121.1(2) . . ?
 C18 C7 H7 119.4 . . ?
 C4 C8 C6 117.7(2) . . ?
 N1 C8 C4 121.9(2) . . ?
 N1 C8 C6 120.5(2) . . ?
 C8 N1 C21 121.4(2) . . ?
 C8 N1 C23 119.7(2) . . ?
 C21 N1 C23 118.9(2) . . ?
 C19 C9 C1 129.32(19) . . ?
 C19 C9 C22 120.6(2) . . ?
 C22 C9 C1 109.99(18) . . ?
 O1 C10 C17 117.86(19) . . ?
 O1 C10 C18 119.92(19) . . ?
 C18 C10 C17 122.2(2) . . ?
 O1 C11 H11A 109.5 . . ?
 O1 C11 H11B 109.5 . . ?
 O1 C11 H11C 109.5 . . ?
 H11A C11 H11B 109.5 . . ?
 H11A C11 H11C 109.5 . . ?
 H11B C11 H11C 109.5 . . ?
 C5 C12 H12 119.3 . . ?
 C5 C12 C19 121.4(2) . . ?
 C19 C12 H12 119.3 . . ?
 C6 C13 H13 119.4 . . ?
 C6 C13 C17 121.2(2) . . ?
 C17 C13 H13 119.4 . . ?
 C2 C14 H14 119.0 . . ?
 C7 C14 C2 121.9(2) . . ?
 C7 C14 H14 119.0 . . ?
 C3 C15 C1 135.3(2) . . ?
 C3 C15 C20 117.82(19) . . ?
 C20 C15 C1 106.85(18) . . ?
 C5 C16 H16 121.3 . . ?
 C22 C16 C5 117.4(2) . . ?
 C22 C16 H16 121.3 . . ?
 C10 C17 C2 119.12(19) . . ?
 C10 C17 C13 122.7(2) . . ?
 C13 C17 C2 118.2(2) . . ?
 C7 C18 C3 124.8(2) . . ?
 C10 C18 C3 117.67(19) . . ?
 C10 C18 C7 117.5(2) . . ?
 C9 C19 H19 121.0 . . ?
 C12 C19 C9 118.0(2) . . ?
 C12 C19 H19 121.0 . . ?
 O3 C20 C15 127.1(2) . . ?
 O3 C20 C22 125.1(2) . . ?
 C22 C20 C15 107.84(18) . . ?
 N1 C21 H21A 109.5 . . ?
 N1 C21 H21B 109.5 . . ?
 N1 C21 H21C 109.5 . . ?
 H21A C21 H21B 109.5 . . ?
 H21A C21 H21C 109.5 . . ?
 H21B C21 H21C 109.5 . . ?
 C9 C22 C20 108.89(19) . . ?
 C16 C22 C9 121.4(2) . . ?
 C16 C22 C20 129.7(2) . . ?
 N1 C23 H23A 109.5 . . ?
 N1 C23 H23B 109.5 . . ?
 N1 C23 H23C 109.5 . . ?
 H23A C23 H23B 109.5 . . ?
 H23A C23 H23C 109.5 . . ?
 H23B C23 H23C 109.5 . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 O1 C10 C17 C2 177.99(18) . . . . ?
 O1 C10 C17 C13 -2.5(3) . . . . ?
 O1 C10 C18 C3 0.0(3) . . . . ?
 O1 C10 C18 C7 -178.89(19) . . . . ?
 O2 C1 C9 C19 2.3(4) . . . . ?
 O2 C1 C9 C22 179.6(2) . . . . ?
 O2 C1 C15 C3 -4.5(4) . . . . ?
 O2 C1 C15 C20 178.4(2) . . . . ?
 C1 C9 C19 C12 176.5(2) . . . . ?
 C1 C9 C22 C16 -176.9(2) . . . . ?
 C1 C9 C22 C20 1.7(2) . . . . ?
 C1 C15 C20 O3 -178.3(2) . . . . ?
 C1 C15 C20 C22 3.9(2) . . . . ?
 C2 C4 C8 C6 1.9(3) . . . . ?
 C2 C4 C8 N1 -177.5(2) . . . . ?
 O3 C20 C22 C9 178.6(2) . . . . ?
 O3 C20 C22 C16 -2.9(4) . . . . ?
 C3 C15 C20 O3 4.0(3) . . . . ?
 C3 C15 C20 C22 -173.77(19) . . . . ?
 C4 C2 C14 C7 -177.5(2) . . . . ?
 C4 C2 C17 C10 -179.74(19) . . . . ?
 C4 C2 C17 C13 0.7(3) . . . . ?
 C4 C8 N1 C21 -177.6(2) . . . . ?
 C4 C8 N1 C23 3.7(3) . . . . ?
 C5 C12 C19 C9 -0.1(4) . . . . ?
 C5 C16 C22 C9 -0.1(3) . . . . ?
 C5 C16 C22 C20 -178.5(2) . . . . ?
 C6 C8 N1 C21 3.1(3) . . . . ?
 C6 C8 N1 C23 -175.6(2) . . . . ?
 C6 C13 C17 C2 -0.2(3) . . . . ?
 C6 C13 C17 C10 -179.8(2) . . . . ?
 C8 C6 C13 C17 0.6(4) . . . . ?
 C9 C1 C15 C3 174.2(2) . . . . ?
 C9 C1 C15 C20 -2.9(2) . . . . ?
 C11 O1 C10 C17 -82.3(2) . . . . ?
 C11 O1 C10 C18 99.3(2) . . . . ?
 C12 C5 C16 C22 -0.4(4) . . . . ?
 C13 C6 C8 C4 -1.4(3) . . . . ?
 C13 C6 C8 N1 178.0(2) . . . . ?
 C14 C2 C4 C8 177.0(2) . . . . ?
 C14 C2 C17 C10 1.7(3) . . . . ?
 C14 C2 C17 C13 -177.89(19) . . . . ?
 C14 C7 C18 C3 -178.8(2) . . . . ?
 C14 C7 C18 C10 0.1(3) . . . . ?
 C15 C1 C9 C19 -176.5(2) . . . . ?
 C15 C1 C9 C22 0.7(2) . . . . ?
 C15 C3 C18 C7 2.7(4) . . . . ?
 C15 C3 C18 C10 -176.1(2) . . . . ?
 C15 C20 C22 C9 -3.5(2) . . . . ?
 C15 C20 C22 C16 175.0(2) . . . . ?
 C16 C5 C12 C19 0.6(4) . . . . ?
 C17 C2 C4 C8 -1.6(3) . . . . ?
 C17 C2 C14 C7 1.1(3) . . . . ?
 C17 C10 C18 C3 -178.36(19) . . . . ?
 C17 C10 C18 C7 2.7(3) . . . . ?
 C18 C3 C15 C1 -2.5(4) . . . . ?
 C18 C3 C15 C20 174.4(2) . . . . ?
 C18 C7 C14 C2 -2.0(3) . . . . ?
 C18 C10 C17 C2 -3.6(3) . . . . ?
 C18 C10 C17 C13 175.9(2) . . . . ?
 C19 C9 C22 C16 0.6(3) . . . . ?
 C19 C9 C22 C20 179.22(19) . . . . ?
 C22 C9 C19 C12 -0.4(3) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max  1.304
_oxdiff_exptl_absorpt_empirical_full_min  0.466
