Information card for entry 7252149

Structure parameters

• Formula: C18 H14 F4 N2 O4 S
• Calculated formula: C18 H14 F4 N2 O4 S
• Title of publication: Iron photocatalysis unlocks ozone's power for ultrafast sulfide-to-sulfone oxidation in continuous flow
• Authors of publication: Chen, Yatian; Luo, Dengyun; Xing, Dong; Fu, Yufeng; Chen, Qiufang; Song, Qiao; Wang, Zhouyu
• Journal of publication: Green Chemistry
• Year of publication: 2026
• a: 14.905 ± 0.002 Å
• b: 12.2174 ± 0.0014 Å
• c: 10.4693 ± 0.0013 Å
• α: 90°
• β: 104.77 ± 0.005°
• γ: 90°
• Cell volume: 1843.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0486
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No