Information card for entry 2225508

Structure parameters

• Chemical name: Dimethyl 4-(3-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C17 H19 N O5
• Calculated formula: C17 H19 N O5
• SMILES: COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)O)C(=O)OC)C
• Title of publication: Dimethyl 4-(3-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Rajesh, K.; Vijayakumar, V.; Narasimhamurthy, T.; Suresh, J.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o985
• a: 10.4863 ± 0.0007 Å
• b: 10.4091 ± 0.0007 Å
• c: 14.8702 ± 0.0011 Å
• α: 90°
• β: 99.259 ± 0.004°
• γ: 90°
• Cell volume: 1601.98 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes