Information card for entry 7250063

Structure parameters

• Formula: C21 H30 O3 S
• Calculated formula: C21 H30 O3 S
• Title of publication: CO2-Promoted photoredox-catalyzed hydrosulfonylation of alkenes with sulfinates
• Authors of publication: Huang, Wanhui; Liu, Ge; Yang, Fangyuanhang; Ren, Yuxi; Gao, Yuzhen; Su, Weiping
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 3627 - 3633
• a: 8.30717 ± 0.00015 Å
• b: 12.2319 ± 0.0002 Å
• c: 20.046 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2036.92 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No