Information card for entry 2223031

Structure parameters

• Chemical name: Diethyl 4-(4-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C21 H27 N O5
• Calculated formula: C21 H27 N O5
• SMILES: O(c1ccc(cc1)C1C(=C(NC(=C1C(=O)OCC)C)C)C(=O)OCC)CC
• Title of publication: Diethyl 4-(4-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Fun, Hoong-Kun; Goh, Jia Hao; Reddy, B. Palakshi; Sarveswari, S.; Vijayakumar, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2247 - o2248
• a: 7.5557 ± 0.0001 Å
• b: 9.5697 ± 0.0001 Å
• c: 14.0553 ± 0.0002 Å
• α: 85.844 ± 0.001°
• β: 87.679 ± 0.001°
• γ: 81.458 ± 0.001°
• Cell volume: 1001.91 ± 0.02 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes