Information card for entry 2015847

Structure parameters

• Common name: 2,3-difluoro-4-formylphenylboronic acid
• Chemical name: 2,3-Difluoro-4-formylphenylboronic acid
• Formula: C7 H5 B F2 O3
• Calculated formula: C7 H5 B F2 O3
• SMILES: Fc1c(ccc(c1F)C=O)B(O)O
• Title of publication: 2,3-Difluoro-4-formylphenylboronic acid
• Authors of publication: Klis, Tomasz; Lulinski, Sergiusz; Serwatowski, Janusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o145 - o146
• a: 7.9154 ± 0.0012 Å
• b: 9.8527 ± 0.0015 Å
• c: 9.8141 ± 0.0013 Å
• α: 90°
• β: 94.198 ± 0.012°
• γ: 90°
• Cell volume: 763.33 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes