Information card for entry 7122956

Structure parameters

• Formula: C11 H20 F3 N O5
• Calculated formula: C11 H20 F3 N O5
• Title of publication: Palladium-Catalyzed Cross-Coupling of Unactivated Alkylzinc Reagents with 2-Bromo-3,3,3-Trifluoropropene: A New Access to Diversified Fluorinated Amino Acids
• Authors of publication: Zhang, Xingang; Lou, Yue-Guang; Wang, An-Jun; Zhao, Liang; He, Lin-Feng; Li, Xiaofei; He, Chun-Yang
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 6.625 ± 0.0002 Å
• b: 9.3524 ± 0.0003 Å
• c: 13.0235 ± 0.0004 Å
• α: 90°
• β: 102.524 ± 0.002°
• γ: 90°
• Cell volume: 787.73 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No