Information card for entry 4130827

Structure parameters

• Formula: C36 H28 B2 F20 N2 O3 S2
• Calculated formula: C36 H28 B2 F20 N2 O3 S2
• Title of publication: A Frustrated Lewis Pair Catalyzed Asymmetric Transfer Hydrogenation of Imines Using Ammonia Borane.
• Authors of publication: Li, Songlei; Li, Gen; Meng, Wei; Du, Haifeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 39
• Pages of publication: 12956 - 12962
• a: 18.608 ± 0.004 Å
• b: 10.59 ± 0.002 Å
• c: 20.591 ± 0.005 Å
• α: 90°
• β: 98.67 ± 0.003°
• γ: 90°
• Cell volume: 4011.3 ± 1.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No