Information card for entry 2223222

Structure parameters

• Chemical name: [3-Bromo-2-(3-fluorobenzyloxy)phenyl]boronic acid
• Formula: C13 H11 B Br F O3
• Calculated formula: C13 H11 B Br F O3
• Title of publication: [3-Bromo-2-(3-fluorobenzyloxy)phenyl]boronic acid
• Authors of publication: Kacprzak, Kinga; Klis, Tomasz; Serwatowski, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2250
• a: 14.913 ± 0.002 Å
• b: 4.0214 ± 0.0006 Å
• c: 21.945 ± 0.003 Å
• α: 90°
• β: 101.572 ± 0.013°
• γ: 90°
• Cell volume: 1289.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0903
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes