Information card for entry 2227137

Structure parameters

• Chemical name: 9,9'-(Biphenyl-2,2'-diyl)difluoren-9-ol 4-methylpyridine solvate
• Formula: C44 H33 N O2
• Calculated formula: C44 H33 N O2
• SMILES: n1ccc(cc1)C.OC1(c2ccccc2c2ccccc12)c1ccccc1c1ccccc1C1(O)c2ccccc2c2ccccc12
• Title of publication: 9,9'-(Biphenyl-2,2'-diyl)difluoren-9-ol 4-methylpyridine solvate
• Authors of publication: Ashurov, Jamshid; Izotova, Lidiya; Ibragimov, Aziz; Weber, Edwin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2068 - o2069
• a: 15.801 ± 0.003 Å
• b: 15.602 ± 0.003 Å
• c: 14.136 ± 0.003 Å
• α: 90°
• β: 110.19 ± 0.03°
• γ: 90°
• Cell volume: 3270.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes