Information card for entry 2010729

Structure parameters

• Common name: 4,4-Diphenyl-6-(2,2-diphenyl-1-hydroxyethyl)-2-cyclohexen-1-one
• Chemical name: 4,4-Diphenyl-6-(2,2-diphenyl-1-hydroxyethyl)-2-cyclohexen-1-one
• Formula: C32 H28 O2
• Calculated formula: C32 H28 O2
• SMILES: O[C@H]([C@H]1CC(c2ccccc2)(C=CC1=O)c1ccccc1)C(c1ccccc1)c1ccccc1.O[C@@H]([C@@H]1CC(c2ccccc2)(C=CC1=O)c1ccccc1)C(c1ccccc1)c1ccccc1
• Title of publication: 6-(1-Hydroxy-2,2-diphenylethyl)-4,4-diphenyl-2-cyclohexen-1-one
• Authors of publication: Kumar, V.S. Senthil; Nangia, Ashwini
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 360 - 361
• a: 9.6111 ± 0.0009 Å
• b: 11.5199 ± 0.0012 Å
• c: 11.5621 ± 0.0012 Å
• α: 84.458 ± 0.001°
• β: 77.829 ± 0.001°
• γ: 74.138 ± 0.001°
• Cell volume: 1202.7 ± 0.2 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes