Information card for entry 4106702

Structure parameters

• Chemical name: 2-fluoro-4,5-dimethyl-2-phenyl-1,3,4,2-dioxazaborol-4-ium-2-uide
• Formula: C9 H11 B F N O2
• Calculated formula: C9 H11 B F N O2
• Title of publication: Expanded Substrate Scope and Improved Reactivity of Ether-Forming Cross-Coupling Reactions of Organotrifluoroborates and Acetals
• Authors of publication: Cam-Van T. Vo; T. Andrew Mitchell; Jeffrey W. Bode
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 14082 - 14089
• a: 8.2905 ± 0.0003 Å
• b: 10.0263 ± 0.0003 Å
• c: 23.1917 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1927.76 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1441
• 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: Yes
• Has Fobs: No