Information card for entry 1520304

Structure parameters

• Formula: C66.33 H81.67 N2 O4 Yb
• Calculated formula: C66.3333 H81.6667 N2 O4 Yb
• Title of publication: Highly Enantioselective Epoxidation of α,β-Unsaturated Ketones Catalyzed by Rare-Earth Amides [(Me3Si)2N]3RE(μ-Cl)Li(THF)3 with Phenoxy-Functionalized Chiral Prolinols.
• Authors of publication: Zeng, Chao; Yuan, Dan; Zhao, Bei; Yao, Yingming
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 9
• Pages of publication: 2242 - 2245
• a: 15.592 ± 0.0006 Å
• b: 20.5827 ± 0.0003 Å
• c: 60.065 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19276.4 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0944
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No