Information card for entry 1502945

Structure parameters

• Formula: C8 H10 B I O4
• Calculated formula: C8 H10 B I O4
• SMILES: Ic1c(cc(OC)cc1OC)B(O)O
• Title of publication: Mild silver(I)-mediated regioselective iodination and bromination of arylboronic acids.
• Authors of publication: Al-Zoubi, Raed M; Hall, Dennis G.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 2480 - 2483
• a: 9.1721 ± 0.0003 Å
• b: 14.0916 ± 0.0005 Å
• c: 16.1791 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2091.14 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0186
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No