Information card for entry 2210891

Structure parameters

• Chemical name: Dimethyl 4-[4-(2-methoxy-2-oxoethoxy)phenyl]-2,6-dimethyl- 1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C20 H23 N O7
• Calculated formula: C20 H23 N O7
• SMILES: N1C(=C(C(C(=C1C)C(=O)OC)c1ccc(cc1)OCC(=O)OC)C(=O)OC)C
• Title of publication: Dimethyl 4-[4-(2-methoxy-2-oxoethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Sundar, T. V.; Parthasarathi, V.; Bansal, Ranju; Zoufalá, Petra; Lang, H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4963 - o4965
• a: 14.4587 ± 0.0012 Å
• b: 14.4275 ± 0.001 Å
• c: 19.0072 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3965 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0704
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes