Information card for entry 2229996

Structure parameters

• Chemical name: Diethyl 4,6-diacetamidoisophthalate
• Formula: C16 H20 N2 O6
• Calculated formula: C16 H20 N2 O6
• SMILES: O(C(=O)c1c(NC(=O)C)cc(NC(=O)C)c(c1)C(=O)OCC)CC
• Title of publication: Diethyl 4,6-diacetamidoisophthalate
• Authors of publication: Li, Peishen; Li, Xianghui; Chen, Chao; Yuan, Lihua; Feng, Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1185
• a: 7.951 ± 0.003 Å
• b: 10.249 ± 0.003 Å
• c: 11.109 ± 0.004 Å
• α: 76.7 ± 0.03°
• β: 77.42 ± 0.03°
• γ: 76.5 ± 0.02°
• Cell volume: 843.7 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.1289
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.2339
• Weighted residual factors for all reflections included in the refinement: 0.2675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes