Information card for entry 7034389

Structure parameters

• Formula: C42 H3 B F33 P
• Calculated formula: C42 H3 B F33 P
• SMILES: [P+](c1c(c(F)cc(c1F)F)F)(c1c(F)c(F)cc(F)c1F)(F)c1c(c(F)cc(F)c1F)F.Fc1c(F)c(F)c(c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Synthesis and Lewis acidity of fluorophosphonium cations.
• Authors of publication: Caputo, Christopher B.; Winkelhaus, Daniel; Dobrovetsky, Roman; Hounjet, Lindsay J.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 12256 - 12264
• a: 7.5622 ± 0.0006 Å
• b: 24.529 ± 0.002 Å
• c: 20.9562 ± 0.0019 Å
• α: 90°
• β: 90.378 ± 0.004°
• γ: 90°
• Cell volume: 3887.1 ± 0.6 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No