Information card for entry 4122883

Structure parameters

• Formula: C42.81 H29.34 B Br0.47 F20 O2
• Calculated formula: C42.8062 H29.3385 B Br0.4677 F20 O2
• Title of publication: Enabling Catalytic Ketone Hydrogenation by Frustrated Lewis Pairs.
• Authors of publication: Mahdi, Tayseer; Stephan, Douglas W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141031153414000
• a: 12.7865 ± 0.0006 Å
• b: 19.9241 ± 0.0009 Å
• c: 17.011 ± 0.0007 Å
• α: 90°
• β: 106.744 ± 0.001°
• γ: 90°
• Cell volume: 4150 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No