Information card for entry 7034393

Structure parameters

• Formula: C39 H21 B F17 P
• Calculated formula: C39 H21 B F17 P
• SMILES: c1cc(c(cc1)[P+](c1c(cccc1)C)(c1ccccc1C)F)C.c1(c(c(c(c(c1F)F)[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)F)F)F)F
• 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: 11.0189 ± 0.0008 Å
• b: 11.9251 ± 0.0009 Å
• c: 15.5762 ± 0.0011 Å
• α: 68.914 ± 0.004°
• β: 69.688 ± 0.004°
• γ: 73.804 ± 0.004°
• Cell volume: 1763 ± 0.2 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: 0.1256
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2578
• Weighted residual factors for all reflections included in the refinement: 0.2831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No