Information card for entry 7121923

Structure parameters

• Formula: C26 H31 B Br2 F5 N
• Calculated formula: C26 H31 B Br2 F5 N
• Title of publication: Selective one- and two-electron reductions of a haloborane enabled by a π-withdrawing carbene ligand.
• Authors of publication: Roy, Dipak Kumar; Krummenacher, Ivo; Stennett, Tom E.; Lenczyk, Carsten; Thiess, Torsten; Welz, Eileen; Engels, Bernd; Braunschweig, Holger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 65
• Pages of publication: 9015 - 9018
• a: 11.6404 ± 0.0004 Å
• b: 15.7259 ± 0.0005 Å
• c: 14.2888 ± 0.0005 Å
• α: 90°
• β: 99.812 ± 0.002°
• γ: 90°
• Cell volume: 2577.39 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No