Information card for entry 2201439

Structure parameters

• Chemical name: Diethyl N,N'-o-phenylenedioxamate
• Formula: C14 H16 N2 O6
• Calculated formula: C14 H16 N2 O6
• SMILES: O=C(Nc1ccccc1NC(=O)C(=O)OCC)C(=O)OCC
• Title of publication: Diethyl <i>N,N</i>'-<i>o</i>-phenylenedioxamate
• Authors of publication: Martín, Susana; Beitia, Javier I.; Ugalde, Maria; Vitoria, Pablo; Cortés, Roberto
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o913 - o915
• a: 17.756 ± 0.004 Å
• b: 15.986 ± 0.002 Å
• c: 11.924 ± 0.002 Å
• α: 90°
• β: 116.31 ± 0.02°
• γ: 90°
• Cell volume: 3034 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1915
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes