Information card for entry 7034392

Structure parameters

• Formula: C51 H33 B F21 P
• Calculated formula: C51 H33 B F21 P
• SMILES: [P+](F)(c1c(cc(C)cc1C)C)(c1c(cc(C)cc1C)C)c1c(cc(cc1C)C)C.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: 8.179 ± 0.002 Å
• b: 24.083 ± 0.005 Å
• c: 23.41 ± 0.005 Å
• α: 90°
• β: 95.637 ± 0.008°
• γ: 90°
• Cell volume: 4588.9 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No