Information card for entry 2202363

Structure parameters

• Formula: C6 H10 N2 O5
• Calculated formula: C6 H10 N2 O5
• SMILES: O=C1O[N-]C=C1C(=O)OCC.O[NH3+]
• Title of publication: Ethyl 5-oxo-2,5-dihydro-4-isoxazolecarboxylate hydroxylamine salt
• Authors of publication: Kennedy, Alan R.; Khalaf, Abedawn I.; Suckling, Colin J.; Waigh, Roger D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1410 - o1412
• a: 4.6788 ± 0.0002 Å
• b: 13.3277 ± 0.0006 Å
• c: 13.538 ± 0.0007 Å
• α: 90°
• β: 97.212 ± 0.002°
• γ: 90°
• Cell volume: 837.52 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0525
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes