Information card for entry 2223571

Structure parameters

• Chemical name: Diethyl 2,6-dimethyl-4-<i>p</i>-tolyl-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C20 H25 N O4
• Calculated formula: C20 H25 N O4
• SMILES: O=C(OCC)C1=C(NC(=C(C1c1ccc(cc1)C)C(=O)OCC)C)C
• Title of publication: Diethyl 2,6-dimethyl-4-<i>p</i>-tolyl-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Fun, Hoong-Kun; Liew, Wei-Ching; Reddy, B. Palakshi; Sarveswari, S.; Vijayakumar, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2342 - o2343
• a: 10.0175 ± 0.0001 Å
• b: 7.4287 ± 0.0001 Å
• c: 25.0974 ± 0.0003 Å
• α: 90°
• β: 105.528 ± 0.001°
• γ: 90°
• Cell volume: 1799.5 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.097
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes