Information card for entry 7159591

Structure parameters

• Formula: C23 H20 F3 N O2 S
• Calculated formula: C23 H20 F3 N O2 S
• Title of publication: Electrochemical trifluoroalkylation/annulation for the synthesis of CF₃-functionalized tetrahydroquinolines and dihydroquinolinones.
• Authors of publication: Wu, Hao-Zeng; Teng, Zhong-Shan; Ke, Yu-Xin; Zou, Yu; Gao, Ping; Li, Yue; Zhou, Cheng-He; Zang, Zhong-Lin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 42
• Pages of publication: 8579 - 8583
• a: 13.6163 ± 0.0017 Å
• b: 9.1345 ± 0.0007 Å
• c: 17.6 ± 0.005 Å
• α: 90°
• β: 108.01 ± 0.02°
• γ: 90°
• Cell volume: 2081.8 ± 0.7 ų
• Cell temperature: 291.5 ± 0.4 K
• Ambient diffraction temperature: 291.5 ± 0.4 K
• Number of distinct elements: 6
• 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: 0.1919
• Residual factor for significantly intense reflections: 0.1724
• Weighted residual factors for significantly intense reflections: 0.4238
• Weighted residual factors for all reflections included in the refinement: 0.4494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.635
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No