Information card for entry 2220502

Structure parameters

• Chemical name: 2,4-Difluorophenylboronic acid
• Formula: C6 H5 B F2 O2
• Calculated formula: C6 H5 B F2 O2
• SMILES: B(O)(O)c1c(F)cc(F)cc1
• Title of publication: 2,4-Difluorophenylboronic acid
• Authors of publication: Rodríguez-Cuamatzi, Patricia; Tlahuext, Hugo; Höpfl, Herbert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o44 - o45
• a: 3.7617 ± 0.0011 Å
• b: 12.347 ± 0.004 Å
• c: 14.62 ± 0.004 Å
• α: 90°
• β: 95.45 ± 0.005°
• γ: 90°
• Cell volume: 676 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0655
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes