Information card for entry 4078962

Structure parameters

• Formula: C36 H39 B F15 P
• Calculated formula: C36 H39 B F15 P
• SMILES: [BH](C(=C\C(C)(C)C)\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.[PH+](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes
• Authors of publication: Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5638
• a: 10.2586 ± 0.0003 Å
• b: 12.1826 ± 0.0005 Å
• c: 16.1736 ± 0.0005 Å
• α: 89.894 ± 0.003°
• β: 77.848 ± 0.002°
• γ: 71.794 ± 0.004°
• Cell volume: 1872.65 ± 0.12 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0769
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.2153
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No