Information card for entry 2018780

Structure parameters

• Common name: 1-Hydroxy-1,3-dihydro-2,3,1-benzoxazaborinin-4-one
• Chemical name: 1-Hydroxy-1<i>H</i>-benzo[<i>d</i>][1,2,6]oxazaborinin-4(3<i>H</i>)-one
• Formula: C7 H6 B N O3
• Calculated formula: C7 H6 B N O3
• SMILES: O=C1NOB(O)c2ccccc12
• Title of publication: 1-Hydroxy-1<i>H</i>-benzo[<i>d</i>][1,2,6]oxazaborinin-4(3<i>H</i>)-one
• Authors of publication: Sarina, Evan A.; Olmstead, Marilyn M.; Nguyen, Dung N.; Groziak, Michael P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: 183 - 185
• a: 9.0848 ± 0.0003 Å
• b: 6.2043 ± 0.0002 Å
• c: 13.1207 ± 0.0005 Å
• α: 90°
• β: 107.792 ± 0.002°
• γ: 90°
• Cell volume: 704.17 ± 0.04 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0351
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes