Information card for entry 2223670

Structure parameters

• Chemical name: 1-Chloroacetyl-<i>r</i>-2,<i>c</i>-6-bis(4-methoxyphenyl)-<i>c</i>-3,<i>t</i>-3-dimethylpiperidin-4-one
• Formula: C23 H26 Cl N O4
• Calculated formula: C23 H26 Cl N O4
• SMILES: [C@H]1(C(C(=O)C[C@H](c2ccc(cc2)OC)N1C(=O)CCl)(C)C)c1ccc(cc1)OC.[C@@H]1(C(C(=O)C[C@@H](c2ccc(cc2)OC)N1C(=O)CCl)(C)C)c1ccc(cc1)OC
• Title of publication: 1-Chloroacetyl-<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: Thenmozhi, M.; Kavitha, T.; Mohanraj, V.; Ponnuswamy, S.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2793
• a: 12.5928 ± 0.0004 Å
• b: 9.4141 ± 0.0003 Å
• c: 17.907 ± 0.0006 Å
• α: 90°
• β: 90.826 ± 0.001°
• γ: 90°
• Cell volume: 2122.65 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0836
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes