Information card for entry 4114937

Structure parameters

• Chemical name: 1,2,3,4,5,6,7,8,13,14,15,16-Dodecaphenyltriptycene
• Formula: C93 H64 Cl2
• Calculated formula: C93 H64 Cl2
• Title of publication: Octaphenylbiphenylene and Dodecaphenyltriptycene
• Authors of publication: Jun Lu; Jiajia Zhang; Xianfeng Shen; Douglas M. Ho; Robert A. Pascal
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 8035 - 8041
• a: 19.2738 ± 0.0004 Å
• b: 28.5548 ± 0.0005 Å
• c: 32.331 ± 0.0005 Å
• α: 90°
• β: 125.485 ± 0.0008°
• γ: 90°
• Cell volume: 14488.9 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1119
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections: 0.2266
• Weighted residual factors for significantly intense reflections: 0.2071
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for significantly intense reflections: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No