Information card for entry 7049191

Structure parameters

• Formula: C17 H5 B Cl F10 N
• Calculated formula: C17 H5 B Cl F10 N
• 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: 10.354 ± 0.0007 Å
• b: 17.9612 ± 0.0012 Å
• c: 18.099 ± 0.0011 Å
• α: 90°
• β: 90.255 ± 0.002°
• γ: 90°
• Cell volume: 3365.8 ± 0.4 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No