Information card for entry 2231777

Structure parameters

• Chemical name: Dimethyl 4-(4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine- 3,5-dicarboxylate
• Formula: C17 H19 N O5
• Calculated formula: C17 H19 N O5
• SMILES: N1C(=C(C(c2ccc(O)cc2)C(=C1C)C(=O)OC)C(=O)OC)C
• Title of publication: Dimethyl 4-(4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Zhang, Chun-Hua; Zhao, Jing-Min; Chen, Bao-Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2362 - o2363
• a: 13.245 ± 0.003 Å
• b: 9.348 ± 0.0019 Å
• c: 13.754 ± 0.003 Å
• α: 90°
• β: 110.14 ± 0.03°
• γ: 90°
• Cell volume: 1598.8 ± 0.7 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: 0.2507
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes