Information card for entry 2226330

Structure parameters

• Chemical name: Dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C19 H23 N O6
• Calculated formula: C19 H23 N O6
• SMILES: O(c1ccc(cc1OC)C1C(=C(NC(=C1C(=O)OC)C)C)C(=O)OC)C
• Title of publication: Dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Shahani, Tara; Fun, Hoong-Kun; Reddy, B. Palakshi; Vijayakumar, V.; Sarveswari, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1355 - o1356
• a: 7.3883 ± 0.0006 Å
• b: 10.0775 ± 0.0008 Å
• c: 12.3833 ± 0.001 Å
• α: 105.372 ± 0.002°
• β: 90.255 ± 0.002°
• γ: 91.611 ± 0.002°
• Cell volume: 888.6 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0469
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes