Information card for entry 7113890

Structure parameters

• Formula: C20 H6 B F15 S
• Calculated formula: C20 H6 B F15 S
• SMILES: [B](c1c(c(F)c(F)c(F)c1F)F)([S](C)C)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: B(C6F5)3-catalyzed formation of B‒P bonds by dehydrocoupling of phosphine‒boranes
• Authors of publication: Denis, Jean-Marc; Forintos, Henrietta; Szelke, Helga; Toupet, Loic; Pham, Thi-Nhàn; Madec, Pierre-Jean; Gaumont, Annie-Claude
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 54 - 55
• a: 17.7574 ± 0.0007 Å
• b: 11.8948 ± 0.0005 Å
• c: 20.299 ± 0.0009 Å
• α: 90°
• β: 110.101 ± 0.002°
• γ: 90°
• Cell volume: 4026.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.2138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103618
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No