Information card for entry 2224895

Structure parameters

• Chemical name: 1-Dichloroacetyl-<i>r</i>-2,<i>c</i>-6-bis(4-methoxyphenyl)-<i>t</i>-3,<i>t</i>-5-dimethylpiperidin-4-one
• Formula: C23 H25 Cl2 N O4
• Calculated formula: C23 H25 Cl2 N O4
• SMILES: COc1ccc(cc1)[C@@H]1[C@@H](C)C(=O)[C@H]([C@@H](N1C(=O)C(Cl)Cl)c1ccc(cc1)OC)C
• Title of publication: 1-Dichloroacetyl-<i>r</i>-2,<i>c</i>-6-bis(4-methoxyphenyl)-<i>t</i>-3,<i>t</i>-5-dimethylpiperidin-4-one
• Authors of publication: Ravichandran, K.; Ramesh, P.; Neeladevi, C.; Ponnuswamy, S.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o263
• a: 8.1251 ± 0.0007 Å
• b: 9.9702 ± 0.0009 Å
• c: 27.649 ± 0.002 Å
• α: 90°
• β: 92.265 ± 0.005°
• γ: 90°
• Cell volume: 2238.1 ± 0.3 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: 0.0727
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes