Information card for entry 2224194

Structure parameters

• Chemical name: (4<i>RS</i>)-3-Benzyl 5-methyl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C23 H22 N2 O6
• Calculated formula: C23 H22 N2 O6
• SMILES: O=C(OC)C1=C(NC(=C(C1c1ccc(N(=O)=O)cc1)C(=O)OCc1ccccc1)C)C
• Title of publication: (4<i>RS</i>)-3-Benzyl 5-methyl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Zhang, Bing-zhu; Wang, Yan-ji; Sun, Feng-xia; Zhang, Xu; Wang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3199
• a: 9.6527 ± 0.0019 Å
• b: 11.043 ± 0.002 Å
• c: 19.883 ± 0.004 Å
• α: 90°
• β: 100.23 ± 0.03°
• γ: 90°
• Cell volume: 2085.7 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0907
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes