Information card for entry 2224859

Structure parameters

• Chemical name: 1-Dichloroacetyl-<i>r</i>-2,<i>c</i>-6-bis(4-methoxyphenyl)-<i>t</i>-3-methylpiperidin-4-one
• Formula: C22 H23 Cl2 N O4
• Calculated formula: C22 H23 Cl2 N O4
• SMILES: ClC(Cl)C(=O)N1[C@@H](CC(=O)[C@H]([C@@H]1c1ccc(OC)cc1)C)c1ccc(OC)cc1.ClC(Cl)C(=O)N1[C@H](CC(=O)[C@@H]([C@H]1c1ccc(OC)cc1)C)c1ccc(OC)cc1
• Title of publication: 1-Dichloroacetyl-<i>r</i>-2,<i>c</i>-6-bis(4-methoxyphenyl)-<i>t</i>-3-methylpiperidin-4-one
• Authors of publication: Ravichandran, K.; Ramesh, P.; Sakthivel, P.; 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: o262
• a: 19.3021 ± 0.0016 Å
• b: 10.5886 ± 0.0009 Å
• c: 10.3241 ± 0.001 Å
• α: 90°
• β: 91.445 ± 0.005°
• γ: 90°
• Cell volume: 2109.4 ± 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: 0.1311
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes