Information card for entry 4345409

Structure parameters

• Formula: C11 H8 F3 I O3 S2
• Calculated formula: C11 H8 F3 I O3 S2
• Title of publication: Diverse Reactions of Thiophenes, Selenophenes, and Tellurophenes with Strongly Oxidizing I(III) PhI(L)2 Reagents.
• Authors of publication: Egalahewa, Sathsara; Albayer, Mohammad; Aprile, Antonino; Dutton, Jason L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1282 - 1288
• a: 12.392 ± 0.003 Å
• b: 10.379 ± 0.002 Å
• c: 12.365 ± 0.003 Å
• α: 90°
• β: 113.66 ± 0.03°
• γ: 90°
• Cell volume: 1456.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0356
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No