Information card for entry 2012173

Structure parameters

• Chemical name: Methyl isopropyl 2-methoxyiminomethyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydro- pyridine-3,5-dicarboxylate
• Formula: C20 H23 N3 O7
• Calculated formula: C20 H23 N3 O7
• SMILES: O(N=CC1NC(=C(C(C=1C(=O)OC)c1cc(N(=O)=O)ccc1)C(=O)OC(C)C)C)C
• Title of publication: 3-Methyl 5-isopropyl 2-methoxyiminomethyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Vrábel, Viktor; Lehotay, Jozef; Oktavec, Drahomír; Marchalín, Štefan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: 1073 - 1074
• a: 9.563 ± 0.004 Å
• b: 9.703 ± 0.004 Å
• c: 12.031 ± 0.006 Å
• α: 93.99 ± 0.04°
• β: 105.09 ± 0.04°
• γ: 103.66 ± 0.04°
• Cell volume: 1037.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1919
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.783
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes