Information card for entry 2220445

Structure parameters

• Chemical name: 1-Dichloroacetyl-r-2,c-6-bis(4-methoxyphenyl)-c-3,t-3-dimethylpiperidin-4-one
• Formula: C23 H25 Cl2 N O4
• Calculated formula: C23 H25 Cl2 N O4
• SMILES: ClC(Cl)C(=O)N1[C@@H](C(C(=O)C[C@@H]1c1ccc(OC)cc1)(C)C)c1ccc(OC)cc1.ClC(Cl)C(=O)N1[C@H](C(C(=O)C[C@H]1c1ccc(OC)cc1)(C)C)c1ccc(OC)cc1
• Title of publication: 1-Dichloroacetyl-<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.; Ponnuswamy, S.; Mohanraj, V.; Vijayalakshmi, R.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o11
• a: 23.6295 ± 0.0009 Å
• b: 10.3999 ± 0.0004 Å
• c: 19.2617 ± 0.0009 Å
• α: 90°
• β: 107.734 ± 0.001°
• γ: 90°
• Cell volume: 4508.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1836
• 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