Information card for entry 4504160

Structure parameters

• Common name: 4-Carboxyphenylboronic acid hydrate
• Formula: C7 H7.5 B O4.25
• Calculated formula: C7 H7.5 B O4.25
• Title of publication: Solid-State Structures of 4-Carboxyphenylboronic Acid and Its Hydrates
• Authors of publication: SeethaLekshmi, Nanappan; Pedireddi, Venkateswara Rao
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 944
• a: 13.14 ± 0.003 Å
• b: 18.138 ± 0.005 Å
• c: 25.328 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6037 ± 3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No