Information card for entry 1515183

Structure parameters

• Formula: C30 H32 B F16 O P
• Calculated formula: C30 H32 B F16 O P
• SMILES: [P+](C1CC(O[B](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)C1)(C(F)(F)F)C(F)(F)F)(C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane
• Authors of publication: Zhao, Xiaoxi; Stephan, Douglas W.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 2123
• a: 11.177 ± 0.002 Å
• b: 11.228 ± 0.002 Å
• c: 13.582 ± 0.003 Å
• α: 69.214 ± 0.01°
• β: 82.733 ± 0.011°
• γ: 82.327 ± 0.01°
• Cell volume: 1573.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1447
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No