Information card for entry 4038649

Structure parameters

• Formula: C94 H106 N4 O10 Y2
• Calculated formula: C94 H106 N4 O10 Y2
• Title of publication: Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.
• Authors of publication: Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 14.5715 ± 0.0011 Å
• b: 16.3015 ± 0.0013 Å
• c: 36.96 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8779.4 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1063
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No