Information card for entry 7159546

Structure parameters

• Formula: C9 H11 F O2 S
• Calculated formula: C9 H11 F O2 S
• Title of publication: Aryl sulfonyl fluoride synthesis <i>via</i> organophotocatalytic fluorosulfonylation of diaryliodonium salts.
• Authors of publication: Ma, Yuyang; Pan, Qijun; Ou, Caiyun; Cai, Yinxia; Ma, Xiaoyu; Liu, Chao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 37
• Pages of publication: 7597 - 7601
• a: 13.407 ± 0.002 Å
• b: 7.2877 ± 0.0013 Å
• c: 9.884 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 965.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0471
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No