Information card for entry 4504159

Structure parameters

• Common name: 4-Carboxyphenylboronic acid hydrate
• Formula: C7 H9 B O5
• Calculated formula: C7 H9 B O5
• 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: 7.566 ± 0.005 Å
• b: 11.929 ± 0.007 Å
• c: 9.769 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 881.7 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 37
• Hermann-Mauguin space group symbol: C c c 2
• Hall space group symbol: C 2 -2c
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.433
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No