Information card for entry 2004974

Structure parameters

• Chemical name: dimethyl 2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
• Formula: C17 H16 N2 O6
• Calculated formula: C17 H16 N2 O6
• Title of publication: Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate, Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-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: 6
• Pages of publication: 1565 - 1570
• a: 11.598 ± 0.001 Å
• b: 14.526 ± 0.001 Å
• c: 10.612 ± 0.001 Å
• α: 90°
• β: 111.5 ± 0.01°
• γ: 90°
• Cell volume: 1663.4 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.0648
• Goodness-of-fit parameter for significantly intense reflections: 1.53
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No