Information card for entry 4100422

Structure parameters

• Formula: C64 H54 O6
• Calculated formula: C56 H38 O2
• SMILES: c1(c(c(c2ccccc2)c(c(c1c1ccc(cc1)c1ccc(cc1)C=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)c1ccc(cc1)C=O
• Title of publication: 1,2-Bis[4-(4-formylphenyl)phenyl]-3,4,5,6-tetraphenylbenzene Ethyl Acetate Disolvate
• Authors of publication: Song, Qiuling; .; Lebeis, Christopher W.; .; Shen, Xianfeng; .; Ho, Douglas M.; .; Pascal Jr., Robert A.; .
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 11.6499 ± 0.0002 Å
• b: 19.9833 ± 0.0003 Å
• c: 20.8163 ± 0.0003 Å
• α: 90°
• β: 95.872 ± 0.001°
• γ: 90°
• Cell volume: 4820.68 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No