Information card for entry 4002025

Structure parameters

• Formula: C33 H24 O
• Calculated formula: C33 H24 O
• SMILES: O=C(c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)c1ccccc1
• Title of publication: Graphene-like Molecules Based on Tetraphenylethene Oligomers: Synthesis, Characterization, and Applications
• Authors of publication: Ma, Ji; Lin, Tingting; Pan, Xiaoyong; Wang, Weizhi
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 4221 - 4229
• a: 9.348 ± 0.003 Å
• b: 23.74 ± 0.007 Å
• c: 11.388 ± 0.004 Å
• α: 90°
• β: 104.51 ± 0.006°
• γ: 90°
• Cell volume: 2446.6 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No