Information card for entry 4117262

Structure parameters

• Formula: C35 H23 B F10 P
• Calculated formula: C35 H23 B F10 P
• SMILES: [P+](C1C[B](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)CCC1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Correction to Olefin-Borane "van der Waals Complexes": Intermediates in Frustrated Lewis Pair Addition Reactions
• Authors of publication: Xiaoxi Zhao; Douglas W. Stephan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 744 - 744
• a: 11.2176 ± 0.0009 Å
• b: 11.7971 ± 0.0009 Å
• c: 12.231 ± 0.0009 Å
• α: 68.922 ± 0.003°
• β: 89.06 ± 0.003°
• γ: 87.535 ± 0.003°
• Cell volume: 1508.9 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No