Information card for entry 7059265

Structure parameters

• Common name: (14A)
• Chemical name: (2-iodo-5-methoxybiphenyl-3-yl)boronic acid
• Formula: C13 H12 B I O3
• Calculated formula: C13 H12 B I O3
• 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: 19.7878 ± 0.0014 Å
• b: 5.0588 ± 0.0004 Å
• c: 27.336 ± 0.002 Å
• α: 90°
• β: 93.9416 ± 0.001°
• γ: 90°
• Cell volume: 2729.9 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No