Information card for entry 7037151

Structure parameters

• Formula: C47 H46 B F10 P
• Calculated formula: C47 H46 B F10 P
• SMILES: [B](C1[P+](CC(=C1)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(/C=C/C(C)(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.c1ccccc1
• Title of publication: Unusual borane addition to conjugated dienylphosphanes under frustrated Lewis pair conditions.
• Authors of publication: Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6111 - 6117
• a: 11.2089 ± 0.0002 Å
• b: 30.0074 ± 0.0006 Å
• c: 12.2976 ± 0.0002 Å
• α: 90°
• β: 95.073 ± 0.001°
• γ: 90°
• Cell volume: 4120.09 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No