Information card for entry 2226209

Structure parameters

• Chemical name: (4-carbamoylphenyl)boronic acid
• Formula: C7 H8 B N O3
• Calculated formula: C7 H8 B N O3
• Title of publication: (4-Carbamoylphenyl)boronic acid
• Authors of publication: Apostolova, Margarita D.; Nikolova, Rositsa P.; Shivachev, Boris L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1273
• a: 4.997 ± 0.002 Å
• b: 5.351 ± 0.002 Å
• c: 7.2967 ± 0.0016 Å
• α: 103.912 ± 0.013°
• β: 98.69 ± 0.02°
• γ: 93.136 ± 0.014°
• Cell volume: 186.36 ± 0.11 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes