Information card for entry 1564328

Structure parameters

• Formula: C19 H21 F3 O3 S Si
• Calculated formula: C19 H21 F3 O3 S Si
• SMILES: S(=O)(=O)(OC)/C(=C(\C(F)(F)F)c1ccc(cc1)c1ccccc1)[Si](C)(C)C
• Title of publication: Radical-Mediated Vicinal Addition of Alkoxysulfonyl/Fluorosulfonyl and Trifluoromethyl Groups to Aryl Alkyl Alkynes
• Authors of publication: Dong, Xinrui; Jiang, Wenhua; Hua, Dexiang; Wang, Xiaohui; Xu, Liang; Wu, Xiaoxing
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 7.406 ± 0.0003 Å
• b: 15.9894 ± 0.0006 Å
• c: 34.9562 ± 0.0012 Å
• α: 90°
• β: 94.362 ± 0.003°
• γ: 90°
• Cell volume: 4127.4 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 6
• 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: 0.1485
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No