Information card for entry 4085063

Structure parameters

• Formula: C44 H33 B2 F15 N2 Si2
• Calculated formula: C44 H33 B2 F15 N2 Si2
• SMILES: [B]1([n]2ccccc2)(C(=C([B]([n]2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C(=C1[Si](C)(C)C)c1c(F)c(F)c(F)c(F)c1F)[Si](C)(C)C)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: 10.0744 ± 0.0003 Å
• b: 13.5124 ± 0.0005 Å
• c: 19.2866 ± 0.0009 Å
• α: 70.732 ± 0.003°
• β: 75.681 ± 0.002°
• γ: 73.754 ± 0.004°
• Cell volume: 2344.38 ± 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: 0.0564
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No