Information card for entry 7250560

Structure parameters

• Formula: C18 H16 F6 O2 S
• Calculated formula: C18 H16 F6 O2 S
• Title of publication: Anti-Markovnikov hydrosulfenylation of unactivated alkenes/alkynes via visible-light organic photocatalysis
• Authors of publication: Gu, Jiayi; Xin, Meixiu; Cheng, Zhuo; Zou, Zhiru; Du, Zhibo; Cheng, Xinyi; Wang, Yan; Zou, Yong
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 26
• Pages of publication: 7763 - 7770
• a: 21.0767 ± 0.0009 Å
• b: 9.2205 ± 0.0004 Å
• c: 9.3765 ± 0.0003 Å
• α: 90°
• β: 95.69 ± 0.004°
• γ: 90°
• Cell volume: 1813.23 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.1189
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.266
• Weighted residual factors for all reflections included in the refinement: 0.2803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No