Information card for entry 7126779

Structure parameters

• Formula: C48 H38 B F10 P
• Calculated formula: C48 H38 B F10 P
• SMILES: [P@H+]1(C[C@H](CC1)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)C#Cc1ccccc1)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[P@@H+]1(C[C@@H](CC1)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)C#Cc1ccccc1)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: A rare olefin 1,1-carboboration reaction opens a synthetic pathway to an unusually structured frustrated Lewis pair.
• Authors of publication: Chen, Chaohuang; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 62
• Pages of publication: 8806 - 8809
• a: 12.0403 ± 0.0003 Å
• b: 13.4516 ± 0.0003 Å
• c: 13.5382 ± 0.0003 Å
• α: 111.455 ± 0.001°
• β: 95.241 ± 0.001°
• γ: 97.459 ± 0.002°
• Cell volume: 2000.43 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0887
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No