Information card for entry 4036003

Structure parameters

• Formula: C14 H13 F3 N2 O4
• Calculated formula: C14 H13 F3 N2 O4
• Title of publication: Direct Catalytic Asymmetric Synthesis of Trifluoromethylated γ-Amino Esters/Lactones via Umpolung Strategy.
• Authors of publication: Hu, Bin; Deng, Li
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 2
• Pages of publication: 994 - 1005
• a: 15.9367 ± 0.0002 Å
• b: 6.7628 ± 0.0001 Å
• c: 16.9558 ± 0.0003 Å
• α: 90°
• β: 117.243 ± 0.0008°
• γ: 90°
• Cell volume: 1624.73 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0243
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for all reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9971
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No