Information card for entry 2208674

Structure parameters

• Chemical name: 2,4-dibenzoyl-3,5-bis(4-methoxylphenyl)-1-phenylcyclohexanol
• Formula: C40 H36 O5
• Calculated formula: C40 H36 O5
• SMILES: c1cc(ccc1OC)[C@H]1[C@H]([C@@H](c2ccc(cc2)OC)[C@@H]([C@@](c2ccccc2)(C1)O)C(=O)c1ccccc1)C(=O)c1ccccc1.c1cc(ccc1OC)[C@@H]1[C@@H]([C@H](c2ccc(cc2)OC)[C@H]([C@](c2ccccc2)(C1)O)C(=O)c1ccccc1)C(=O)c1ccccc1
• Title of publication: 2,4-Dibenzoyl-3,5-bis(4-methoxylphenyl)-1-phenylcyclohexanol
• Authors of publication: Xinxiang Luo; Zixing Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1631 - o1632
• a: 9.941 ± 0.002 Å
• b: 11.551 ± 0.002 Å
• c: 15.24 ± 0.003 Å
• α: 68.271 ± 0.003°
• β: 89.203 ± 0.003°
• γ: 76.337 ± 0.003°
• Cell volume: 1574.4 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0727
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No