Information card for entry 4067895

Structure parameters

• Formula: C26 H24 B F17 P
• Calculated formula: C29 H24 B F17 P
• SMILES: P(C(C)(C)C)(CCCF)C(C)(C)C.Fc1c(F)c(F)c(c(F)c1F)[B](F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Activation of Alkyl C‒F Bonds by B(C6F5)3: Stoichiometric and Catalytic Transformations
• Authors of publication: Caputo, Christopher B.; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 27
• a: 11.3914 ± 0.0005 Å
• b: 25.2126 ± 0.001 Å
• c: 11.5847 ± 0.0005 Å
• α: 90°
• β: 114.31 ± 0.002°
• γ: 90°
• Cell volume: 3032.2 ± 0.2 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: 0.1025
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1895
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No