Information card for entry 2230463

Structure parameters

• Chemical name: 3-(4-Chlorobenzoyl)-4-(4-chlorophenyl)-1-phenethylpiperidin-4-ol
• Formula: C26 H25 Cl2 N O2
• Calculated formula: C26 H25 Cl2 N O2
• SMILES: Clc1ccc([C@]2(O)CCN(CCc3ccccc3)C[C@H]2C(=O)c2ccc(Cl)cc2)cc1.Clc1ccc([C@@]2(O)CCN(CCc3ccccc3)C[C@@H]2C(=O)c2ccc(Cl)cc2)cc1
• Title of publication: 3-(4-Chlorobenzoyl)-4-(4-chlorophenyl)-1-phenethylpiperidin-4-ol
• Authors of publication: Aydın, Abdullah; Akkurt, Mehmet; Mete, Ebru; Sahin, Ertan; Gul, Halise Inci
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1447 - o1448
• a: 16.95 ± 0.004 Å
• b: 12.863 ± 0.003 Å
• c: 10.792 ± 0.002 Å
• α: 90°
• β: 97.779 ± 0.013°
• γ: 90°
• Cell volume: 2331.3 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.2205
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes