Information card for entry 1543395

Structure parameters

• Formula: C17 H20 F3 N O3
• Calculated formula: C17 H20 F3 N O3
• SMILES: FC(F)(F)CCC(OC(=O)C)c1c(C(=O)N2CCCC2)cccc1
• Title of publication: Copper-Catalyzed Trifluoromethylation of Alkenes with Redox-Neutral Remote Amidation of Aldehydes.
• Authors of publication: Cheng, Cungui; Liu, Shuiyou; Lu, Danyang; Zhu, Gangguo
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 2852 - 2855
• a: 10.019 ± 0.003 Å
• b: 9.396 ± 0.002 Å
• c: 19.802 ± 0.005 Å
• α: 90 ± 0.013°
• β: 112.805 ± 0.016°
• γ: 90 ± 0.012°
• Cell volume: 1718.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1894
• Residual factor for significantly intense reflections: 0.104
• Weighted residual factors for significantly intense reflections: 0.3276
• Weighted residual factors for all reflections included in the refinement: 0.3869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No