Information card for entry 4114936

Structure parameters

• Chemical name: Octaphenylbiphenylene
• Formula: C62 H44 Cl4
• Calculated formula: C62 H44 Cl4
• 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: 18.6482 ± 0.0005 Å
• b: 24.2381 ± 0.0008 Å
• c: 10.5573 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4771.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections: 0.1803
• Weighted residual factors for significantly intense reflections: 0.1531
• Goodness-of-fit parameter for all reflections: 1.018
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No