Information card for entry 2209967

Structure parameters

• Chemical name: o-Nitrobenzoic acid anhydride
• Formula: C14 H8 N2 O7
• Calculated formula: C14 H8 N2 O7
• SMILES: O(C(=O)c1ccccc1N(=O)=O)C(=O)c1ccccc1N(=O)=O
• Title of publication: <i>o</i>-Nitrobenzoic acid anhydride
• Authors of publication: Huelgas, Gabriela; Quintero, Leticia; Anaya de Parrodi, Cecilia; Bernès, Sylvain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3191 - o3192
• a: 7.9365 ± 0.001 Å
• b: 16.1757 ± 0.0014 Å
• c: 11.0023 ± 0.0008 Å
• α: 90°
• β: 103.798 ± 0.007°
• γ: 90°
• Cell volume: 1371.7 ± 0.2 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 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: 0.0676
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes