Information card for entry 4034800

Structure parameters

• Formula: C22 H19 F3 O S
• Calculated formula: C22 H19 F3 O S
• SMILES: S(C(Cc1ccc(OC)cc1)c1ccc(cc1)c1ccccc1)C(F)(F)F
• Title of publication: Oxidative Radical Intermolecular Trifluoromethylthioarylation of Styrenes by Arenediazonium Salts and Copper(I) Trifluoromethylthiolate.
• Authors of publication: Xiao, Zhiwei; Liu, Yongan; Zheng, Liping; Liu, Chao; Guo, Yong; Chen, Qing-Yun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 10
• Pages of publication: 5836 - 5843
• a: 14.852 ± 0.009 Å
• b: 5.609 ± 0.003 Å
• c: 23.749 ± 0.014 Å
• α: 90°
• β: 95.694 ± 0.009°
• γ: 90°
• Cell volume: 1969 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.2759
• Residual factor for significantly intense reflections: 0.136
• Weighted residual factors for significantly intense reflections: 0.3528
• Weighted residual factors for all reflections included in the refinement: 0.4104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No