Information card for entry 7125120

Structure parameters

• Formula: C12 H8 B F5 O S
• Calculated formula: C12 H8 B F5 O S
• Title of publication: S(vi) Lewis acids: fluorosulfoxonium cations.
• Authors of publication: Tsao, Fu An; Waked, Alexander E.; Cao, Levy; Hofmann, Jordan; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 84
• Pages of publication: 12418 - 12421
• a: 6.9113 ± 0.0007 Å
• b: 10.7857 ± 0.0009 Å
• c: 16.5078 ± 0.0017 Å
• α: 90°
• β: 99.049 ± 0.007°
• γ: 90°
• Cell volume: 1215.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1036
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No