Information card for entry 7052072

Structure parameters

• Common name: 3-Fluoro-2-formyl-phenylboronic acid
• Chemical name: 3-Fluoro-2-formyl-phenylboronic acid
• Formula: C7 H6 B F O3
• Calculated formula: C7 H6 B F O3
• SMILES: Fc1c(c(ccc1)B(O)O)C=O
• Title of publication: A tautomeric equilibrium between functionalized 2-formylphenylboronic acids and corresponding 1,3-dihydro-1,3-dihydroxybenzo[c][2,1]oxaboroles
• Authors of publication: Sergiusz Luliński; Izabela Madura; Janusz Serwatowski; Halina Szatyłowicz; Janusz Zachara
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 144
• a: 7.2136 ± 0.0009 Å
• b: 7.6191 ± 0.0008 Å
• c: 8.101 ± 0.0011 Å
• α: 102.96 ± 0.01°
• β: 106.797 ± 0.01°
• γ: 111.387 ± 0.009°
• Cell volume: 368.76 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No