Information card for entry 4133739

Structure parameters

• Formula: C79 H50 Al2 F24 O4
• Calculated formula: C79 H50 Al2 F24 O4
• Title of publication: Asymmetric Hydroboration of Heteroaryl Ketones by Aluminum Catalysis.
• Authors of publication: Lebedev, Yury N.; Polishchuk, Iuliia; Maity, Bholanath; Cavallo, Luigi; Rueping, Magnus
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 13.6082 ± 0.0002 Å
• b: 15.8839 ± 0.0003 Å
• c: 35.5338 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7680.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0889
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1918
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No