Information card for entry 7049203

Structure parameters

• Formula: C29 H29 B Cl F10 N Si2
• Calculated formula: C29 H29 B Cl F10 N Si2
• 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: 16.507 ± 0.0005 Å
• b: 11.0553 ± 0.0004 Å
• c: 17.9516 ± 0.0006 Å
• α: 90°
• β: 106.1 ± 0.001°
• γ: 90°
• Cell volume: 3147.5 ± 0.18 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No