Information card for entry 1546952

Structure parameters

• Formula: C13 H7 F3 O2 S
• Calculated formula: C13 H7 F3 O2 S
• Title of publication: Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts.
• Authors of publication: Wang, Ming; Chen, Shihao; Jiang, Xuefeng
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 18
• Pages of publication: 4916 - 4919
• a: 21.918 ± 0.004 Å
• b: 6.9184 ± 0.0012 Å
• c: 8.0372 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1218.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.2175
• Weighted residual factors for all reflections included in the refinement: 0.2389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No