Information card for entry 2214632

Structure parameters

• Chemical name: 3-(2-Methoxyethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C19 H22 N2 O7
• Calculated formula: C19 H22 N2 O7
• SMILES: O(C(=O)C1=C(NC(=C(C1c1cccc(N(=O)=O)c1)C(=O)OCCOC)C)C)C
• Title of publication: 3-(2-Methoxyethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Sun, Feng-Xia; Rong, Fu-Gang; Chu, Xiao-He; Yan, Shu-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3451 - o3451
• a: 14.575 ± 0.003 Å
• b: 9.909 ± 0.002 Å
• c: 14.522 ± 0.003 Å
• α: 90°
• β: 115.11 ± 0.03°
• γ: 90°
• Cell volume: 1899.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.083
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes