Information card for entry 2230223

Structure parameters

• Chemical name: Ethyl 3-methyl-2,6-diphenylpiperidine-1-carboxylate
• Formula: C21 H25 N O2
• Calculated formula: C21 H25 N O2
• SMILES: O=C(OCC)N1[C@H](CC[C@@H]([C@H]1c1ccccc1)C)c1ccccc1.O=C(OCC)N1[C@@H](CC[C@H]([C@@H]1c1ccccc1)C)c1ccccc1
• Title of publication: Ethyl 3-methyl-2,6-diphenylpiperidine-1-carboxylate
• Authors of publication: Natarajan, Sampath; Mathews, Rita
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1530
• a: 10.4113 ± 0.0003 Å
• b: 10.6073 ± 0.0006 Å
• c: 16.2782 ± 0.0006 Å
• α: 90°
• β: 95.96 ± 0.002°
• γ: 90°
• Cell volume: 1787.98 ± 0.13 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: 0.0721
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes