Information card for entry 2210524

Structure parameters

• Chemical name: Dimethyl 4-{4-[2-(dimethylamino)ethoxy]phenyl}-2,6-dimethyl-1,4-dihydropyridine- 3,5-dicarboxylate
• Formula: C21 H28 N2 O5
• Calculated formula: C21 H28 N2 O5
• SMILES: O=C(OC)C1=C(NC(=C(C1c1ccc(OCCN(C)C)cc1)C(=O)OC)C)C
• Title of publication: Dimethyl 4-{4-[2-(dimethylamino)ethoxy]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Sundar, T. V.; Parthasarathi, V.; Priyanka Jain; Bansal, Ranju; Ravikumar, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4699 - o4701
• a: 8.4072 ± 0.0005 Å
• b: 11.2593 ± 0.0007 Å
• c: 11.5788 ± 0.0007 Å
• α: 71.036 ± 0.001°
• β: 86.84 ± 0.001°
• γ: 84.209 ± 0.001°
• Cell volume: 1030.97 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes