Information card for entry 7121924

Structure parameters

• Formula: C30 H28 B Br2 Cl0 F5 N2 O2
• Calculated formula: C30 H28 B Br2 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: 8.492 ± 0.005 Å
• b: 15.351 ± 0.007 Å
• c: 22.229 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2898 ± 3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No