Information card for entry 1556898

Structure parameters

• Chemical name: Diethyl 4-(3-chlorophenyl)-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C29 H26 Cl N O4
• Calculated formula: C29 H26 Cl N O4
• SMILES: c1ccccc1C1=C(C(=O)OCC)C(c2cccc(c2)Cl)C(=C(c2ccccc2)N1)C(=O)OCC
• Title of publication: Diethyl 4-(3-chlorophenyl)-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Ameen, K. K. Mohammed; Ahamed, F. M. Mashood; Padusha, M. Syed Ali; Gunasekaran, B.
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 12
• Pages of publication: x191644
• a: 10.519 ± 0.005 Å
• b: 22.059 ± 0.005 Å
• c: 11.246 ± 0.005 Å
• α: 90 ± 0.005°
• β: 97.867 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2584.9 ± 1.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.1133
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes