Information card for entry 7059264

Structure parameters

• Common name: (19A)
• Chemical name: (2-iodo-4',5-dimethoxybiphenyl-3-yl)boronic acid
• Formula: C14 H14 B I O4
• Calculated formula: C14 H14 B I O4
• 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: 7.4048 ± 0.0003 Å
• b: 9.6801 ± 0.0004 Å
• c: 10.5728 ± 0.0004 Å
• α: 101.675 ± 0.0004°
• β: 90.6702 ± 0.0005°
• γ: 105.763 ± 0.0004°
• Cell volume: 712.47 ± 0.05 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0232
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No