Information card for entry 7125116

Structure parameters

• Formula: C12 H8 F2 O S
• Calculated formula: C12 H8 F2 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: 6.924 ± 0.005 Å
• b: 8.665 ± 0.006 Å
• c: 8.772 ± 0.007 Å
• α: 108.778 ± 0.018°
• β: 94.634 ± 0.017°
• γ: 90.55 ± 0.016°
• Cell volume: 496.3 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.98 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1709
• Residual factor for significantly intense reflections: 0.1174
• Weighted residual factors for significantly intense reflections: 0.2783
• Weighted residual factors for all reflections included in the refinement: 0.3149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No