Information card for entry 2221298

Structure parameters

• Chemical name: 1-Formyl-r-2,c-6-bis(4-methoxyphenyl)-c-3,t-3-dimethylpiperidin-4-one
• Formula: C22 H25 N O4
• Calculated formula: C22 H25 N O4
• SMILES: [C@H]1(C(C(=O)C[C@H](c2ccc(cc2)OC)N1C=O)(C)C)c1ccc(cc1)OC.[C@@H]1(C(C(=O)C[C@@H](c2ccc(cc2)OC)N1C=O)(C)C)c1ccc(cc1)OC
• Title of publication: 1-Formyl-<i>r</i>-2,<i>c</i>-6-bis(4-methoxyphenyl)-<i>c</i>-3,<i>t</i>-3-dimethylpiperidin-4-one
• Authors of publication: Kavitha, T.; Ponnuswamy, S.; Sakthivel, P.; Karthik, K.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o856
• a: 11.7274 ± 0.0003 Å
• b: 18.8556 ± 0.0004 Å
• c: 9.7178 ± 0.0003 Å
• α: 90°
• β: 113.507 ± 0.001°
• γ: 90°
• Cell volume: 1970.54 ± 0.09 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: 0.0827
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes