Information card for entry 1519360

Structure parameters

• Formula: C11 H10 N2 O5
• Calculated formula: C11 H10 N2 O5
• SMILES: O=C1N(CC1)COC(=O)c1ccc(N(=O)=O)cc1
• Title of publication: C11H10N2O5
• Authors of publication: Jones, Ray C. F.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2002
• Pages of publication: 943
• a: 7.4038 ± 0.0005 Å
• b: 7.567 ± 0.0006 Å
• c: 10.7531 ± 0.0011 Å
• α: 89.924 ± 0.004°
• β: 72.445 ± 0.004°
• γ: 73.549 ± 0.006°
• Cell volume: 548.53 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1517
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No