Information card for entry 7250062

Structure parameters

• Chemical name: 1-(((4-isopropylcyclohex-1-en-1-yl)methyl)sulfonyl)-4-methylbenzene
• Formula: C17 H25 O2 S
• Calculated formula: C17 H25 O2 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: 7.1654 ± 0.0002 Å
• b: 10.1994 ± 0.0003 Å
• c: 11.9077 ± 0.0004 Å
• α: 86.315 ± 0.002°
• β: 76.45 ± 0.003°
• γ: 73.545 ± 0.003°
• Cell volume: 811.37 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No