Information card for entry 2217326

Structure parameters

• Chemical name: Dimethyl 4-(4-formylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C18 H19 N O5
• Calculated formula: C18 H19 N O5
• SMILES: COC(=O)C1=C(C)NC(=C(C(=O)OC)C1c1ccc(C=O)cc1)C
• Title of publication: Dimethyl 4-(4-formylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Fei Teng; Fanpeng Kong; Qingjian Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o293 - o293
• a: 8.219 ± 0.002 Å
• b: 10.432 ± 0.003 Å
• c: 10.979 ± 0.003 Å
• α: 111.364 ± 0.003°
• β: 102.799 ± 0.003°
• γ: 101.15 ± 0.004°
• Cell volume: 815 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes