Information card for entry 2224858

Structure parameters

• Chemical name: 1-Acetyl-<i>t</i>-3-ethyl-<i>r</i>-2,<i>c</i>-6-bis(4-methoxyphenyl)piperidin-4-one
• Formula: C23 H27 N O4
• Calculated formula: C23 H27 N O4
• SMILES: O=C(N1[C@@H](CC(=O)[C@H]([C@@H]1c1ccc(OC)cc1)CC)c1ccc(OC)cc1)C.O=C(N1[C@H](CC(=O)[C@@H]([C@H]1c1ccc(OC)cc1)CC)c1ccc(OC)cc1)C
• Title of publication: 1-Acetyl-<i>t</i>-3-ethyl-<i>r</i>-2,<i>c</i>-6-bis(4-methoxyphenyl)piperidin-4-one
• Authors of publication: Ravichandran, K.; Ponnuswamy, S.; Rajesh, R.; Mohanraj, V.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o275
• a: 8.6736 ± 0.0011 Å
• b: 13.4578 ± 0.0016 Å
• c: 17.547 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2048.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes