Information card for entry 1575337

Structure parameters

• Formula: C16 H12 D F5 N2 O5 S2
• Calculated formula: C16 H12 D F5 N2 O5 S2
• Title of publication: A practical photocatalytic strategy for radical (deuterio)difluoromethylation using imidazolium reagents.
• Authors of publication: Sun, Chao; Shen, Yinpu; Li, Heyin; Wang, Zhen; Li, Yifan; Huang, Mengjun; Zou, Zhenlei; Liu, Jing; Liu, Ao; Pan, Yi; Zhang, Weigang; Wang, Yi
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 35
• Pages of publication: 16039 - 16046
• a: 16.1192 ± 0.0018 Å
• b: 8.7748 ± 0.0011 Å
• c: 13.7546 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1945.5 ± 0.4 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No