Information card for entry 1544992

Structure parameters

• Formula: C12 H13 F3 O2 S2
• Calculated formula: C12 H13 F3 O2 S2
• Title of publication: Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes
• Authors of publication: Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 2610
• a: 5.6786 ± 0.0006 Å
• b: 8.4547 ± 0.0009 Å
• c: 15.2755 ± 0.0016 Å
• α: 95.353 ± 0.008°
• β: 96.231 ± 0.008°
• γ: 102.129 ± 0.008°
• Cell volume: 707.68 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 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: 0.1544
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.2709
• Weighted residual factors for all reflections included in the refinement: 0.3262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No