Information card for entry 4117005

Structure parameters

• Chemical name: 1-hydroxy-1H-2,3,1-benzoxazaborine
• Formula: C7 H6 B N O2
• Calculated formula: C7 H6 B N O2
• Title of publication: Planar Boron Heterocycles with Nucleic Acid-Like Hydrogen-Bonding Motifs
• Authors of publication: Michael P. Groziak; Liya Chen; Lin Yi; Paul D. Robinson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 7817 - 7826
• a: 11.2028 ± 0.0015 Å
• b: 30.39 ± 0.008 Å
• c: 8.1221 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2765.2 ± 1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.031
• Goodness-of-fit parameter for significantly intense reflections: 2.4
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No