Information card for entry 2208275

Structure parameters

• Chemical name: 3-Benzotriazol-1-yl 5-methyl-2,6-dimethyl -4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C22 H19 N5 O6
• Calculated formula: C22 H19 N5 O6
• Title of publication: 3-Benzotriazol-1-yl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Jiang, Li-qin; Sun, Feng-xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1129 - o1130
• a: 8.113 ± 0.003 Å
• b: 17.934 ± 0.005 Å
• c: 14.723 ± 0.004 Å
• α: 90°
• β: 98.008 ± 0.006°
• γ: 90°
• Cell volume: 2121.3 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes