Information card for entry 2215415

Structure parameters

• Chemical name: 3-Ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-one
• Formula: C21 H25 N O3
• Calculated formula: C21 H25 N O3
• SMILES: [C@H]1([C@H](C(=O)C[C@H](c2ccc(cc2)OC)N1)CC)c1ccc(cc1)OC.[C@@H]1([C@@H](C(=O)C[C@@H](c2ccc(cc2)OC)N1)CC)c1ccc(cc1)OC
• Title of publication: 3-Ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-one
• Authors of publication: Kavitha, T.; Ponnuswamy, S.; Mohanraj, V.; Ilango, S. S.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3985 - o3985
• a: 14.012 ± 0.002 Å
• b: 7.806 ± 0.0014 Å
• c: 17.655 ± 0.003 Å
• α: 90°
• β: 110.401 ± 0.005°
• γ: 90°
• Cell volume: 1809.9 ± 0.5 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: 0.0928
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.2195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes