Information card for entry 2223403

Structure parameters

• Chemical name: Diethyl 2,6-dimethylpyridine-3,5-dicarboxylate
• Formula: C13 H17 N O4
• Calculated formula: C13 H17 N O4
• SMILES: c1(c(cc(c(C)n1)C(=O)OCC)C(=O)OCC)C
• Title of publication: Diethyl 2,6-dimethylpyridine-3,5-dicarboxylate at 100K
• Authors of publication: Ghalem, Wassima; Belhouas, Ratiba; Boulcina, Raouf; Bouacida, Sofiane; Debache, Abdelmadjid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2528
• a: 4.538 ± 0.0006 Å
• b: 15.44 ± 0.002 Å
• c: 18.722 ± 0.002 Å
• α: 90°
• β: 90.502 ± 0.006°
• γ: 90°
• Cell volume: 1311.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes