Information card for entry 7121926

Structure parameters

• Formula: C30 H28 B Br F5 N2 O2
• Calculated formula: C30 H28 B Br F5 N2 O2
• 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: 7.394 ± 0.002 Å
• b: 11.982 ± 0.004 Å
• c: 16.917 ± 0.006 Å
• α: 104.9 ± 0.02°
• β: 102.465 ± 0.012°
• γ: 99.493 ± 0.019°
• Cell volume: 1375.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No