Information card for entry 2200868

Structure parameters

• Chemical name: Ethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate
• Formula: C20 H21 N O3
• Calculated formula: C20 H21 N O3
• SMILES: CCOC(=O)[C@@H]1C(=O)C[C@H](N[C@H]1c1ccccc1)c1ccccc1.CCOC(=O)[C@H]1C(=O)C[C@@H](N[C@@H]1c1ccccc1)c1ccccc1
• Title of publication: Ethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate
• Authors of publication: Vijayalakshmi, L.; Radhakrishnan, T. R
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o220 - o221
• a: 10.124 ± 0.002 Å
• b: 7.801 ± 0.003 Å
• c: 22.896 ± 0.003 Å
• α: 90°
• β: 100.39 ± 0.01°
• γ: 90°
• Cell volume: 1778.6 ± 0.8 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: 0.083
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes