Information card for entry 4120675

Structure parameters

• Formula: C45 H33 B2 F15 N2 Si2
• Calculated formula: C45 H33 B2 F15 N2 Si2
• SMILES: [Si](C1B(N(c2ccccc2)c2ccccc2)C([Si](C)(C)C)=C(C=1[B](C)(c1c(F)c(F)c(F)c(F)c1F)[n]1ccccc1)c1c(F)c(F)c(F)c(F)c1F)(C)(C)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Borole formation by 1,1-carboboration.
• Authors of publication: Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 1
• Pages of publication: 68 - 71
• a: 11.1344 ± 0.0005 Å
• b: 11.8923 ± 0.0005 Å
• c: 17.9487 ± 0.0007 Å
• α: 91.256 ± 0.002°
• β: 98.181 ± 0.002°
• γ: 104.156 ± 0.002°
• Cell volume: 2277.04 ± 0.17 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0567
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No