Information card for entry 2233669

Structure parameters

• Chemical name: Diisobutyl 4-(3-ethoxy-4-hydroxyphenyl)-2,6-dimethyl- 1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C25 H35 N O6
• Calculated formula: C25 H35 N O6
• SMILES: CCOc1cc(ccc1O)C1C(=C(C)NC(=C1C(=O)OCC(C)C)C)C(=O)OCC(C)C
• Title of publication: Diisobutyl 4-(3-ethoxy-4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Fun, Hoong-Kun; Hemamalini, Madhukar; Reddy, B. Palakshi; Vijayakumar, V.; Sarveswari, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o287 - o288
• a: 12.7346 ± 0.0002 Å
• b: 13.118 ± 0.0002 Å
• c: 15.7404 ± 0.0002 Å
• α: 71.766 ± 0.001°
• β: 89.813 ± 0.001°
• γ: 76.15 ± 0.001°
• Cell volume: 2417.5 ± 0.06 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 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: 0.0688
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes