Information card for entry 7127156

Structure parameters

• Formula: C34 H28 B2 F12 N2
• Calculated formula: C34 H28 B2 F12 N2
• 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: 8.7742 ± 0.0005 Å
• b: 9.5777 ± 0.0006 Å
• c: 11.1573 ± 0.0007 Å
• α: 98.124 ± 0.002°
• β: 99.074 ± 0.002°
• γ: 113.422 ± 0.002°
• Cell volume: 827.78 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No