Information card for entry 2222107

Structure parameters

• Chemical name: 1-(2-Chloroacetyl)-3-methyl-2,6-bis(3,4,5-trimethoxyphenyl)piperidine-4-one
• Formula: C26 H32 Cl N O8
• Calculated formula: C26 H32 Cl N O8
• SMILES: ClCC(=O)N1[C@@H](CC(=O)[C@H]([C@@H]1c1cc(OC)c(OC)c(OC)c1)C)c1cc(OC)c(OC)c(OC)c1.ClCC(=O)N1[C@H](CC(=O)[C@@H]([C@H]1c1cc(OC)c(OC)c(OC)c1)C)c1cc(OC)c(OC)c(OC)c1
• Title of publication: 1-(2-Chloroacetyl)-3-methyl-2,6-bis(3,4,5-trimethoxyphenyl)piperidine-4-one
• Authors of publication: Lakshminarayana, B. N.; Shashidhara Prasad, J.; Gnanendra, C. R.; Sridhar, M. A.; Chenne Gowda, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1237
• a: 13.872 ± 0.0008 Å
• b: 16.511 ± 0.0011 Å
• c: 22.812 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5224.9 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes