Information card for entry 2216378

Structure parameters

• Chemical name: 2,4-Dibenzoyl-1,3,5-triphenylcyclohexan-1-ol dichloromethane hemisolvate
• Formula: C38.5 H33 Cl O3
• Calculated formula: C38.5 H33 Cl O3
• SMILES: O=C([C@@H]1[C@H](C[C@@]([C@@H]([C@H]1c1ccccc1)C(=O)c1ccccc1)(O)c1ccccc1)c1ccccc1)c1ccccc1.ClCCl.O=C([C@H]1[C@@H](C[C@]([C@H]([C@@H]1c1ccccc1)C(=O)c1ccccc1)(O)c1ccccc1)c1ccccc1)c1ccccc1.ClCCl
• Title of publication: 2,4-Dibenzoyl-1,3,5-triphenylcyclohexan-1-ol dichloromethane hemisolvate
• Authors of publication: Jun-Hong Zhang; Qing-Peng He; Yong-Wang; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4652 - o4652
• a: 12.452 ± 0.011 Å
• b: 12.527 ± 0.011 Å
• c: 20.631 ± 0.018 Å
• α: 94.152 ± 0.015°
• β: 97.683 ± 0.014°
• γ: 100.908 ± 0.014°
• Cell volume: 3116 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1356
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes