Information card for entry 4035758

Structure parameters

• Formula: C11 H10 N2 O7
• Calculated formula: C11 H10 N2 O7
• SMILES: O(c1c2[nH+]cccc2ccc1)CC(=O)O.O.O=N(=O)[O-]
• Title of publication: Nitric Oxide Sensing through 1,2,3,4-Oxatriazole Formation from Acylhydrazide: A Kinetic Study.
• Authors of publication: Islam, Abu Saleh Musha; Bhowmick, Rahul; Chandra Garain, Bidhan; Katarkar, Atul; Ali, Mahammad
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 21
• Pages of publication: 13287 - 13295
• a: 5.383 ± 0.005 Å
• b: 11.95 ± 0.012 Å
• c: 19.616 ± 0.019 Å
• α: 89.964 ± 0.013°
• β: 89.969 ± 0.014°
• γ: 85.193 ± 0.012°
• Cell volume: 1257 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.3408
• Residual factor for significantly intense reflections: 0.1113
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.3119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No