Information card for entry 7160363

Structure parameters

• Chemical name: 1
• Formula: C14 H20 O3 S
• Calculated formula: C14 H20 O3 S
• Title of publication: Direct α-C-H alkylation of alcohols <i>via</i> photoinduced hydrogen atom transfer.
• Authors of publication: Wu, Mingzhong; Wang, Yaru; Lv, Xin; Ma, Zhengxian; Sheng, Xiaojing; Wang, Mengjie; Zhang, Yalin; An, Zhenyu; Wang, Xuekun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 10
• Pages of publication: 2365 - 2369
• a: 22.0552 ± 0.0003 Å
• b: 5.67162 ± 0.00007 Å
• c: 22.7509 ± 0.0003 Å
• α: 90°
• β: 98.7926 ± 0.0012°
• γ: 90°
• Cell volume: 2812.44 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No