Information card for entry 4085060

Structure parameters

• Formula: C39 H31 B2 F15 Si2
• Calculated formula: C39 H31 B2 F15 Si2
• SMILES: [B]123([C@]4([Si](C)(C)C)C(=C(B(c5c(F)c(F)c(F)c(F)c5F)c5c(F)c(F)c(F)c(F)c5F)[C]1([Si](C)(C)C)=[CH]2[C@]34CCC)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1.[B]123([C@@]4([Si](C)(C)C)C(=C(B(c5c(F)c(F)c(F)c(F)c5F)c5c(F)c(F)c(F)c(F)c5F)[C]1([Si](C)(C)C)=[CH]2[C@@]34CCC)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1
• Title of publication: Reactions of Boroles Formed by 1,1-Carboboration
• Authors of publication: Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 229
• a: 10.5318 ± 0.0003 Å
• b: 10.7243 ± 0.0003 Å
• c: 19.1097 ± 0.0005 Å
• α: 103.289 ± 0.0012°
• β: 91.158 ± 0.0012°
• γ: 114.312 ± 0.0011°
• Cell volume: 1898.17 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No