Information card for entry 2210587

Structure parameters

• Chemical name: 3-(2-Acetoxyethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C20 H22 N2 O8
• Calculated formula: C20 H22 N2 O8
• SMILES: N1C(=C(C(C(=C1C)C(=O)OCCOC(=O)C)c1cc(N(=O)=O)ccc1)C(=O)OC)C
• Title of publication: 3-(2-Acetoxyethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Sun, Feng-Xia; Zhao, Ying; Zhang, Cui; Zhang, Yan-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4763 - o4764
• a: 9.0389 ± 0.0012 Å
• b: 10.699 ± 0.0014 Å
• c: 11.0049 ± 0.0016 Å
• α: 93.452 ± 0.006°
• β: 90.871 ± 0.005°
• γ: 109.153 ± 0.006°
• Cell volume: 1002.8 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes