Information card for entry 7104370

Structure parameters

• Formula: C36 H35 B F15 P
• Calculated formula: C36 H35 B F15 P
• SMILES: [P+](C(C)(C)C)(C(C)(C)C)(C(C)(C)C)[C@H]1C=C[C@@H](CC1)[B](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.[P+](C(C)(C)C)(C(C)(C)C)(C(C)(C)C)[C@@H]1C=C[C@H](CC1)[B](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
• Title of publication: 1,4-Addition reactions of frustrated Lewis pairs to 1,3-dienes.
• Authors of publication: Ullrich, Matthias; Seto, Kelvin S-H; Lough, Alan J; Stephan, Douglas W
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 2335 - 2337
• a: 9.146 ± 0.0018 Å
• b: 13.313 ± 0.003 Å
• c: 16.843 ± 0.003 Å
• α: 81.44 ± 0.03°
• β: 77.24 ± 0.03°
• γ: 76.04 ± 0.03°
• Cell volume: 1931.2 ± 0.7 ų
• Cell temperature: 150 ± 1 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: 0.1576
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No