Information card for entry 7160689

Structure parameters

• Formula: C25 H22 O4 S
• Calculated formula: C25 H22 O4 S
• Title of publication: Visible-light photoredox catalysis for vinyl sulfone construction <i>via</i> sulfoxonium ylide alkynylation.
• Authors of publication: Yang, Haiyue; Yu, Xianglin; Liu, Chang; Li, Mei; Yuan, Mingquan; Chen, Jingbo; Jin, Yi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 37
• Pages of publication: 8404 - 8408
• a: 12.4223 ± 0.0013 Å
• b: 8.2374 ± 0.0007 Å
• c: 20.63 ± 0.002 Å
• α: 90°
• β: 104.515 ± 0.004°
• γ: 90°
• Cell volume: 2043.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0632
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No