Information card for entry 2007357

Structure parameters

• Chemical name: N-ethoxycarbonyl-3,5-dimethyl-cis-2,6-diphenyl piperidin-4-one
• Formula: C22 H25 N O3
• Calculated formula: C22 H25 N O3
• SMILES: N1([C@@H]([C@H](C(=O)[C@H]([C@@H]1c1ccccc1)C)C)c1ccccc1)C(=O)OCC
• Title of publication: Ethyl 3,5-Dimethyl-4-oxo-<i>cis</i>-2,6-diphenylpiperidine-1-carboxylate
• Authors of publication: Suresh Kumar, M.; Ponnuswamy, M. N.; Ponnuswamy, S.; Jeyaraman, R.; Paneerselvam, K.; Soriano-Garcia, Manuel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 870 - 872
• a: 10.404 ± 0.002 Å
• b: 9.743 ± 0.002 Å
• c: 19.096 ± 0.003 Å
• α: 90°
• β: 95.7 ± 0.02°
• γ: 90°
• Cell volume: 1926.1 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.157
• Weighted residual factors for significantly intense reflections: 0.138
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No