Information card for entry 4123154

Structure parameters

• Formula: C59.88 H52.33 Cu F9 N2 O2.38 P3
• Calculated formula: C59.882 H52.329 Cu F9 N2 O2.382 P3
• Title of publication: Catalytic Generation of α-CF3 Enolate: Direct Catalytic Asymmetric Mannich-Type Reaction of α-CF3 Amide.
• Authors of publication: Yin, Liang; Brewitz, Lennart; Kumagai, Naoya; Shibasaki, Masakatsu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141219122731002
• a: 18.2815 ± 0.0003 Å
• b: 18.3875 ± 0.0003 Å
• c: 33.1185 ± 0.0006 Å
• α: 90°
• β: 96.477 ± 0.007°
• γ: 90°
• Cell volume: 11061.8 ± 0.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.2173
• Weighted residual factors for all reflections included in the refinement: 0.2349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No