Information card for entry 2214361

Structure parameters

• Common name: 2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5- dicarboxylic acid 3-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl) -ethyl] ester 5-methyl ester
• Chemical name: 3-[2-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl] 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C26 H23 N3 O8
• Calculated formula: C26 H23 N3 O8
• SMILES: O=C(OC)C1=C(NC(=C(C1c1cc(N(=O)=O)ccc1)C(=O)OCCN1C(=O)c2ccccc2C1=O)C)C
• Title of publication: 3-[2-(1,3-Dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl)ethyl] 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Sun, Feng-Xia; Chu, Xiao-He; Chen, Xiang-Min
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o3176 - o3176
• a: 7.7713 ± 0.0016 Å
• b: 16.372 ± 0.003 Å
• c: 17.945 ± 0.004 Å
• α: 90°
• β: 95.43 ± 0.03°
• γ: 90°
• Cell volume: 2273 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No