Information card for entry 2222585

Structure parameters

• Chemical name: 1-Benzoyl-<i>c</i>-3,<i>t</i>-3-dimethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one
• Formula: C26 H25 N O2
• Calculated formula: C26 H25 N O2
• SMILES: O=C(N1[C@H](CC(=O)C([C@H]1c1ccccc1)(C)C)c1ccccc1)c1ccccc1.O=C(N1[C@@H](CC(=O)C([C@@H]1c1ccccc1)(C)C)c1ccccc1)c1ccccc1
• Title of publication: 1-Benzoyl-<i>c</i>-3,<i>t</i>-3-dimethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one
• Authors of publication: Aravindhan, S.; Ponnuswamy, S.; Umamaheswari, J.; Ramesh, P.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1975
• a: 10.854 ± 0.0009 Å
• b: 17.805 ± 0.0017 Å
• c: 10.8853 ± 0.001 Å
• α: 90°
• β: 94.987 ± 0.003°
• γ: 90°
• Cell volume: 2095.7 ± 0.3 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: 0.0874
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes