Information card for entry 2005609

Structure parameters

• Chemical name: 1-hydroxy-2,1λ^5^-benzoxarsol-3-one monohydrate
• Formula: C7 H7 As O4
• Calculated formula: C7 H7 As O4
• SMILES: [As]1(OC(=O)c2ccccc12)O.O
• Title of publication: 1-Hydroxy-2,1λ^5^-benzoxarsol-3-one Monohydrate
• Authors of publication: Hundal, M. S.; Hundal, G.; Parmar, S. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2726 - 2728
• a: 5.184 ± 0.001 Å
• b: 15.569 ± 0.002 Å
• c: 10.053 ± 0.0015 Å
• α: 90°
• β: 93.64 ± 0.02°
• γ: 90°
• Cell volume: 809.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections: 0.1037
• Weighted residual factors for significantly intense reflections: 0.0901
• Goodness-of-fit parameter for all reflections: 1.001
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No