Information card for entry 2221340

Structure parameters

• Chemical name: Diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C19 H23 N O4
• Calculated formula: C19 H23 N O4
• SMILES: N1C(=C(C(C(=C1C)C(=O)OCC)c1ccccc1)C(=O)OCC)C
• Title of publication: Diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Bai, Ming-Sheng; Chen, Yan-Yun; Niu, Dong-Ling; Peng, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o799
• a: 9.7502 ± 0.0012 Å
• b: 7.3854 ± 0.0009 Å
• c: 24.326 ± 0.002 Å
• α: 90°
• β: 92.567 ± 0.001°
• γ: 90°
• Cell volume: 1749.9 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes