Information card for entry 2232251

Structure parameters

• Chemical name: Diisopropyl 1-(4-methoxyphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4- dihydropyridine-3,5-dicarboxylate
• Formula: C28 H32 N2 O7
• Calculated formula: C28 H32 N2 O7
• SMILES: N1(C(=C(C(C(=C1C)C(=O)OC(C)C)c1cc(ccc1)N(=O)=O)C(=O)OC(C)C)C)c1ccc(cc1)OC
• Title of publication: Diisopropyl 1-(4-methoxyphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni; Pawar, Milind P.; Joshi, Hitendra S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2979
• a: 9.5043 ± 0.0008 Å
• b: 10.757 ± 0.0007 Å
• c: 15.1279 ± 0.0012 Å
• α: 90.501 ± 0.006°
• β: 105.873 ± 0.007°
• γ: 114.601 ± 0.007°
• Cell volume: 1339.3 ± 0.2 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: 0.1368
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes