Information card for entry 2012126

Structure parameters

• Common name: 4-(2,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-bis(ethoxycarbo nyl)
• Chemical name: 4-(2,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-bis(ethoxycarbo nyl)
• Formula: C21 H27 N O6
• Calculated formula: C21 H27 N O6
• Title of publication: Diethyl 4-(2,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, conformational change with solvent of crystallization
• Authors of publication: Caignan, Gregori A.; Holt, Elizabeth M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 934 - 935
• a: 7.64 ± 0.002 Å
• b: 8.606 ± 0.006 Å
• c: 30.307 ± 0.017 Å
• α: 90°
• β: 90.25 ± 0.03°
• γ: 90°
• Cell volume: 1992.7 ± 1.9 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: 0.1092
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No