Information card for entry 2004976

Structure parameters

• Chemical name: diethyl 2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
• Formula: C19 H20 N2 O6
• Calculated formula: C19 H21 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: 12.018 ± 0.001 Å
• b: 19.517 ± 0.002 Å
• c: 8.606 ± 0.001 Å
• α: 90°
• β: 109.92 ± 0.01°
• γ: 90°
• Cell volume: 1897.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1452
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections: 0.1605
• Weighted residual factors for significantly intense reflections: 0.1064
• Goodness-of-fit parameter for all reflections: 0.984
• Goodness-of-fit parameter for significantly intense reflections: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No