Information card for entry 7127159

Structure parameters

• Formula: C44 H50 B2 F12 S2 Si4
• Calculated formula: C44 H50 B2 F12 S2 Si4
• Title of publication: Using the FpXylBH₂•SMe₂ reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.
• Authors of publication: Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 81
• Pages of publication: 12178 - 12181
• a: 13.3555 ± 0.0003 Å
• b: 31.172 ± 0.0007 Å
• c: 11.7335 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4884.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No