Information card for entry 2237977

Structure parameters

• Chemical name: Diethyl 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C20 H25 N O5
• Calculated formula: C20 H25 N O5
• SMILES: C1(C(=C(C)NC(=C1C(=O)OCC)C)C(=O)OCC)c1ccccc1OC
• Title of publication: Diethyl 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Wang, Ke; Wang, Yifeng; Yao, Minjie; Xu, Danqian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o785
• a: 22.4689 ± 0.0007 Å
• b: 22.4689 ± 0.0007 Å
• c: 8.2443 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4162.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes