Information card for entry 4114935

Structure parameters

• Chemical name: 1:2:1 2,3,5,6,7,8-hexaphenyl-1,4-di(o-tolyl)naphthalene : 1,2,3,8,9,10- hexaphenyldibenzo[fg,op]naphthacene : dichloromethane complex
• Formula: C181 H122 Cl2
• Calculated formula: C181 H115.044 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: 13.8946 ± 0.0006 Å
• b: 15.149 ± 0.0009 Å
• c: 17.4672 ± 0.001 Å
• α: 75.587 ± 0.002°
• β: 67.113 ± 0.003°
• γ: 70.637 ± 0.003°
• Cell volume: 3165 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.147
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections: 0.2352
• Weighted residual factors for significantly intense reflections: 0.2081
• Goodness-of-fit parameter for all reflections: 1.087
• Goodness-of-fit parameter for significantly intense reflections: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No