%0 Generic %A Roll, Mark F. %A Kampf, Jeffrey W. %A Laine, Richard M. %D 2011 %T Crystalline Hybrid Polyphenylene Macromolecules from Octaalkynylsilsesquioxanes, Crystal Structures, and a Potential Route to 3-D Graphenes %U https://acs.figshare.com/articles/dataset/Crystalline_Hybrid_Polyphenylene_Macromolecules_from_Octaalkynylsilsesquioxanes_Crystal_Structures_and_a_Potential_Route_to_3_D_Graphenes/2654773 %R 10.1021/ma200081q.s003 %2 https://ndownloader.figshare.com/files/4311784 %K crystal structure %K triclinic unit cell %K Crystalline Hybrid Polyphenylene Macromolecules %K 3 nm 3 unit cell %K DPA 8OS %K compound %K octa %K tetra %K Ph 6C %K 11 nm 3 %K 1. %X We report here the Diels−Alder reaction of octa(diphenylacetylene)silsesquioxane [DPA8OS] with tetraphenylcyclopentadienone or tetra(p-tolyl)cyclopentadienone to form octa(hexaphenylbenzene)octasilsesquioxane, (Ph6C6)8OS, or octa(tetratolyldiphenylbenzene)octasilsesquioxane, (p-Tolyl4Ph2C6)8OS. Likewise, tetra(p-tolyl)cyclopentadienone reacts with octa(p-tolylethynylphenyl)OS to form octa(pentatolylphenylbenzene)octasilsesquioxane (p-Tolyl5PhC6)8OS. These compounds, with molecular weights of 4685−5245 Da, were isolated and characterized using a variety of analytical methods. The crystal structure of DPA8OS offers a 3 nm3 unit cell with Z = 1. The crystal structure of (Ph6C6)8OS was determined to have a triclinic unit cell of 11 nm3 with Z = 1. The latter structure is believed to be the largest discrete molecular structure reported with 330 carbons. Efforts to dehydrogenatively cyclize (Scholl reaction) the hexaarylbenzene groups to form 3-D octgraphene compounds are described. %I ACS Publications