Information card for entry 4130022

Structure parameters

• Formula: C28.5 H9 B Cl F10 O2
• Calculated formula: C28.5 H9 B Cl F10 O2
• Title of publication: Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.
• Authors of publication: Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 8
• Pages of publication: 2500 - 2503
• a: 17.3619 ± 0.001 Å
• b: 20.3198 ± 0.0013 Å
• c: 13.4759 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4754.2 ± 0.5 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 148.82 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0415
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No