Information card for entry 7049202

Structure parameters

• Formula: C37 H41 B Cl F10 N Si4
• Calculated formula: C37 H41 B Cl F10 N Si4
• 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: 19.7064 ± 0.0018 Å
• b: 11.2666 ± 0.0009 Å
• c: 20.838 ± 0.002 Å
• α: 90°
• β: 114.308 ± 0.003°
• γ: 90°
• Cell volume: 4216.4 ± 0.7 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No