Information card for entry 7059263

Structure parameters

• Common name: (5A)
• Chemical name: (2-Iodobiphenyl-3-yl)boronic acid
• Formula: C12 H10 B I O2
• Calculated formula: C12 H10 B I O2
• Title of publication: Regioselective synthesis of ortho-iodobiphenylboronic acid derivatives: a superior catalyst for carboxylic acid activation
• Authors of publication: Al-Zoubi, Raed M.; Al-Jammal, Walid K.; McDonald, Robert
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 9
• Pages of publication: 3612 - 3623
• a: 4.9683 ± 0.0012 Å
• b: 13.968 ± 0.003 Å
• c: 17.534 ± 0.004 Å
• α: 90°
• β: 90.619 ± 0.003°
• γ: 90°
• Cell volume: 1216.7 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No