Information card for entry 2225207

Structure parameters

• Chemical name: Diethyl 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C21 H28 N2 O4
• Calculated formula: C21 H28 N2 O4
• SMILES: CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)N(C)C)C(=O)OCC)C
• Title of publication: Diethyl 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Ji, Xiao-Ling; Sun, Wang-Bin; Zhang, Qian; Cao, Yan-Ping; Bai, Ming-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o519
• a: 7.5023 ± 0.0007 Å
• b: 14.9797 ± 0.0014 Å
• c: 18.0691 ± 0.0019 Å
• α: 90°
• β: 91.021 ± 0.001°
• γ: 90°
• Cell volume: 2030.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1418
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.2017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes