Information card for entry 7227340

Structure parameters

• Formula: C24 H33 F3 O3 S
• Calculated formula: C24 H33 F3 O3 S
• Title of publication: Oxidative decarboxylative radical trifluoromethylthiolation of alkyl carboxylic acids with silver(i) trifluoromethanethiolate and selectfluor
• Authors of publication: He, Bin; Xiao, Zhiwei; Wu, Hao; Guo, Yong; Chen, Qing-Yun; Liu, Chao
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 880
• a: 11.2125 ± 0.0019 Å
• b: 6.7337 ± 0.0011 Å
• c: 15.886 ± 0.003 Å
• α: 90°
• β: 104.314 ± 0.004°
• γ: 90°
• Cell volume: 1162.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0946
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1911
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No