Information card for entry 1565996

Structure parameters

• Formula: C17 H26 B F O4 S
• Calculated formula: C17 H26 B F O4 S
• SMILES: B1([C@@H]2C([C@@H]3C=C(CC=C3S(=O)(=O)C2)F)(C)C)OC(C)(C)C(C)(C)O1.B1([C@H]2C([C@H]3C=C(CC=C3S(=O)(=O)C2)F)(C)C)OC(C)(C)C(C)(C)O1
• Title of publication: Radical Boron Walking of Allylboronic Esters
• Authors of publication: Tao, Xiangzhang; Ni, Shengyang; Kong, Lingyu; Wang, Yi; Pan, Yi
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 11.1868 ± 0.001 Å
• b: 10.5562 ± 0.0009 Å
• c: 15.7691 ± 0.0015 Å
• α: 90°
• β: 106.7 ± 0.003°
• γ: 90°
• Cell volume: 1783.6 ± 0.3 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 6
• 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: 0.0763
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No