Information card for entry 2210106

Structure parameters

• Chemical name: Dimethyl 2,6-dimethyl-4-[4-(benzoyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C24 H23 N O6
• Calculated formula: C24 H23 N O6
• SMILES: C1(=C(C(C(=C(C)N1)C(=O)OC)c1ccc(cc1)OC(=O)c1ccccc1)C(=O)OC)C
• Title of publication: Dimethyl 4-[4-(benzoyloxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Sundar, T. V.; Parthasarathi, V.; Bansal, Ranju; Sridhar, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3701 - o3703
• a: 7.8943 ± 0.0006 Å
• b: 10.6426 ± 0.0008 Å
• c: 25.7386 ± 0.0018 Å
• α: 90°
• β: 94.642 ± 0.001°
• γ: 90°
• Cell volume: 2155.4 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0721
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes