Information card for entry 7049195

Structure parameters

• Formula: C23 H17 B Cl F10 N Si
• Calculated formula: C23 H17 B Cl F10 N Si
• Title of publication: Consecutive intermolecular 1,1-carboboration reactions of Me₃Si-substituted alkynes with the halogeno-B(C₆F₅)₂ reagents.
• Authors of publication: Škoch, Karel; Pauly, Christophe; Daniliuc, Constantin G.; Bergander, Klaus; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 15
• Pages of publication: 4837 - 4845
• a: 27.7237 ± 0.0007 Å
• b: 8.5787 ± 0.0002 Å
• c: 21.3851 ± 0.0006 Å
• α: 90°
• β: 105.294 ± 0.001°
• γ: 90°
• Cell volume: 4906 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No