Information card for entry 2012367

Structure parameters

• Chemical name: 4-formylphenylboronic acid
• Formula: C7 H7 B O3
• Calculated formula: C7 H7 B O3
• SMILES: O=Cc1ccc(B(O)O)cc1
• Title of publication: Space-group revision for 4-formylphenylboronic acid
• Authors of publication: Fronczek, Frank R.; St. Luce, Nadia N.; Strongin, Robert M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: 1423 - 1425
• a: 11.1238 ± 0.0003 Å
• b: 9.8718 ± 0.0003 Å
• c: 7.1988 ± 0.0002 Å
• α: 90°
• β: 119.071 ± 0.002°
• γ: 90°
• Cell volume: 690.92 ± 0.04 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes