Information card for entry 2225198

Structure parameters

• Chemical name: Dimethyl 1,4-dihydro-4-(4-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
• Formula: C18 H21 N O5
• Calculated formula: C18 H21 N O5
• SMILES: O(c1ccc(cc1)C1C(=C(NC(=C1C(=O)OC)C)C)C(=O)OC)C
• Title of publication: Dimethyl 1,4-dihydro-4-(4-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
• Authors of publication: Loh, Wan-Sin; 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: 3
• Pages of publication: o587 - o588
• a: 7.4106 ± 0.0003 Å
• b: 9.5715 ± 0.0005 Å
• c: 11.7771 ± 0.0006 Å
• α: 83.029 ± 0.001°
• β: 83.834 ± 0.001°
• γ: 77.424 ± 0.001°
• Cell volume: 806.45 ± 0.07 ų
• Cell temperature: 100 ± 0.1 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: 0.0392
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes