Information card for entry 2219379

Structure parameters

• Chemical name: Diethyl <i>N</i>,<i>N'</i>-(<i>p</i>-phenylene)dioxamate
• Formula: C14 H16 N2 O6
• Calculated formula: C14 H16 N2 O6
• SMILES: CCOC(=O)C(=O)Nc1ccc(cc1)NC(=O)C(=O)OCC
• Title of publication: Diethyl <i>N</i>,<i>N</i>'-(<i>p</i>-phenylene)dioxamate
• Authors of publication: Yang, Wei; Liu, Xiaoyu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1852
• a: 11.328 ± 0.005 Å
• b: 7.769 ± 0.005 Å
• c: 8.372 ± 0.005 Å
• α: 90°
• β: 95.566 ± 0.005°
• γ: 90°
• Cell volume: 733.3 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0566
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes