Information card for entry 2211569

Structure parameters

• Common name: 2,6-Dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine- 3,5-dicarboxylic acid monoethyl ester
• Chemical name: Ethyl 3-carboxy-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
• Formula: C17 H18 N2 O6
• Calculated formula: C17 H18 N2 O6
• Title of publication: Ethyl 5-carboxy-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
• Authors of publication: Sun, Feng-Xia; Zhao, Hua; Du, Hong-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5448 - o5449
• a: 10.323 ± 0.002 Å
• b: 15.59 ± 0.003 Å
• c: 11.202 ± 0.003 Å
• α: 90°
• β: 108.201 ± 0.004°
• γ: 90°
• Cell volume: 1712.6 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes