Information card for entry 2200944

Structure parameters

• Formula: C22 H8 B F15 S
• Calculated formula: C22 H8 B F15 S
• SMILES: S1CCCC1.B(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Tetrahydrothiophene tris(pentafluorophenyl)borane
• Authors of publication: Schaper, Frank; Brintzinger, Hans-Herbert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o77 - o78
• a: 9.5892 ± 0.0008 Å
• b: 10.8264 ± 0.001 Å
• c: 11.3959 ± 0.0009 Å
• α: 111.904 ± 0.006°
• β: 96.814 ± 0.007°
• γ: 100.727 ± 0.007°
• Cell volume: 1055.29 ± 0.17 ų
• Cell temperature: 230 K
• Ambient diffraction temperature: 230 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: 0.0349
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0829
• 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: Yes