Information card for entry 2223214

Structure parameters

• Chemical name: Dimethyl 4-(4-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C19 H23 N O5
• Calculated formula: C19 H23 N O5
• SMILES: O(c1ccc(cc1)C1C(=C(NC(=C1C(=O)OC)C)C)C(=O)OC)CC
• Title of publication: Dimethyl 4-(4-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; 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: o2255 - o2256
• a: 7.4108 ± 0.0001 Å
• b: 9.7459 ± 0.0002 Å
• c: 12.3359 ± 0.0002 Å
• α: 87.412 ± 0.001°
• β: 86.244 ± 0.001°
• γ: 76.402 ± 0.001°
• Cell volume: 863.72 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.043
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes