Information card for entry 2204431

Structure parameters

• Chemical name: Methyl 4-oxo-r-2,c-6-diphenylpiperidine-3-carboxylate
• Formula: C19 H19 N O3
• Calculated formula: C19 H19 N O3
• SMILES: N1[C@@H](c2ccccc2)CC(=O)[C@@H]([C@H]1c1ccccc1)C(=O)OC.N1[C@H](c2ccccc2)CC(=O)[C@H]([C@@H]1c1ccccc1)C(=O)OC
• Title of publication: Methyl 4-oxo-<i>r</i>-2,<i>c</i>-6-diphenylpiperidine-3-carboxylate
• Authors of publication: N. Sampath; S. Aravindhan; M. N. Ponnuswamy; M. Nethaji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2105 - o2106
• a: 9.7563 ± 0.0013 Å
• b: 7.71 ± 0.001 Å
• c: 22.81 ± 0.003 Å
• α: 90°
• β: 102.348 ± 0.004°
• γ: 90°
• Cell volume: 1676.1 ± 0.4 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: 0.0548
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes