Information card for entry 4038647

Structure parameters

• Formula: C94 H104 Eu2 N4 O9
• Calculated formula: C94 H104 Eu2 N4 O9
• 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: 14.5692 ± 0.0007 Å
• b: 16.642 ± 0.0008 Å
• c: 37.323 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9049.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0322
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No