Information card for entry 2211392

Structure parameters

• Common name: 2,6-Dimethyl-4-(p-nitrophenyl)-1,4-dihydropyridine- 3,5-dicarboxylate 3-benzotriazol-1-yl ester 5-methyl ester
• Chemical name: 3-benzotriazol-1-yl 5-methyl 2,6-dimethyl-4-(p-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-(<i>p</i>-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Sun, Feng-Xia; Du, Hong-Xia; Wang, Shuai; Xing, Cui-Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5734 - o5735
• a: 10.318 ± 0.002 Å
• b: 10.751 ± 0.002 Å
• c: 11.491 ± 0.002 Å
• α: 64.37 ± 0.03°
• β: 76.09 ± 0.03°
• γ: 68.77 ± 0.03°
• Cell volume: 1065.9 ± 0.5 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: 0.1078
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes