Information card for entry 7155802

Structure parameters

• Chemical name: triphenylsulfonium trifluoromethanesulfonate
• Formula: C19 H15 F3 O3 S2
• Calculated formula: C19 H15 F3 O3 S2
• SMILES: c1(ccccc1)[S+](c1ccccc1)c1ccccc1.C(S(=O)(=O)[O-])(F)(F)F
• Title of publication: Mild Synthesis of Triarylsulfonium Salts with Arynes
• Authors of publication: Zhang, Lei; Li, Xiaojin; Sun, Yan; Zhao, Weizhao; Luo, Fan; Huang, Xin; Lin, Lihui; Yang, Ying; Peng, Bo
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 8.764 ± 0.0008 Å
• b: 10.011 ± 0.0008 Å
• c: 11.2134 ± 0.001 Å
• α: 99.004 ± 0.004°
• β: 91.663 ± 0.005°
• γ: 98.87 ± 0.004°
• Cell volume: 958.65 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1572
• Residual factor for significantly intense reflections: 0.1377
• Weighted residual factors for significantly intense reflections: 0.4083
• Weighted residual factors for all reflections included in the refinement: 0.4205
• Goodness-of-fit parameter for all reflections included in the refinement: 3.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No