Information card for entry 4116742

Structure parameters

• Chemical name: 2,3,5,6,7,8,9-Heptaphenyl-1,4-di(p-tolyl)fluorene . 0.5Acetone Solvate
• Formula: C70.5 H53 O0.5
• Calculated formula: C69 H50
• SMILES: c1(c(c(c(c2c3c(c(c(c(c3C(c12)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)C)c1ccccc1)c1ccccc1)c1ccc(cc1)C
• Title of publication: Polyphenylbiphenyls and Polyphenylfluorenes
• Authors of publication: Ling Tong; Heidi Lau; Douglas M. Ho; Robert A. Pascal
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 6000 - 6006
• a: 13.771 ± 0.001 Å
• b: 14.17 ± 0.001 Å
• c: 14.233 ± 0.002 Å
• α: 83.891 ± 0.009°
• β: 83.79 ± 0.01°
• γ: 81.373 ± 0.007°
• Cell volume: 2718.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1591
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections: 0.1294
• Weighted residual factors for significantly intense reflections: 0.0989
• Goodness-of-fit parameter for all reflections: 0.685
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No