Information card for entry 2005416

Structure parameters

• Chemical name: Di-tertbutyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C23 H30 N2 O6
• Calculated formula: C23 H30 N2 O6
• Title of publication: Dibutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Diisobutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and Di-<i>tert</i>-butyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Rowan, K. R.; Holt, E. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2207 - 2212
• a: 11.142 ± 0.001 Å
• b: 16.803 ± 0.002 Å
• c: 13.384 ± 0.001 Å
• α: 90°
• β: 109.9 ± 0.01°
• γ: 90°
• Cell volume: 2356.1 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.1042
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections: 0.1535
• Weighted residual factors for significantly intense reflections: 0.1209
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for significantly intense reflections: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No