Information card for entry 7034395

Structure parameters

• Formula: C30 H27 B F17 P
• Calculated formula: C30 H27 B F17 P
• SMILES: [P+](F)(C(C)(C)C)(C(C)(C)C)C(C)(C)C.Fc1c(F)c(F)c([B](F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)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: 11.1422 ± 0.0006 Å
• b: 12.0791 ± 0.0007 Å
• c: 12.574 ± 0.0007 Å
• α: 80.041 ± 0.003°
• β: 84.639 ± 0.003°
• γ: 68.173 ± 0.003°
• Cell volume: 1546.53 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0957
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No