Information card for entry 2207902

Structure parameters

• Chemical name: Diethyl 2,6-dimethylpyridine-3,5-dicarboxylate
• Formula: C13 H17 N O4
• Calculated formula: C13 H17 N O4
• SMILES: CCOC(=O)c1cc(C(=O)OCC)c(nc1C)C
• Title of publication: Diethyl 2,6-dimethylpyridine-3,5-dicarboxylate
• Authors of publication: Cui, Jian-Zhong; Zhang, Hong; Zhang, Dan; Wang, Hai-Tao; Gao, Hong-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o24 - o25
• a: 4.593 ± 0.002 Å
• b: 15.95 ± 0.009 Å
• c: 18.795 ± 0.01 Å
• α: 90°
• β: 90.656 ± 0.009°
• γ: 90°
• Cell volume: 1376.8 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1259
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes