Information card for entry 7161050

Structure parameters

• Formula: C17 H14 O3 S
• Calculated formula: C17 H14 O3 S
• Title of publication: Access to S,C-sulfonium ylides from iodonium ylides <i>via</i> iron catalysis.
• Authors of publication: Hu, Wanqi; Chen, Xingyu; Wu, Xiaowei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• a: 8.8557 ± 0.0004 Å
• b: 13.0872 ± 0.0005 Å
• c: 13.2877 ± 0.0006 Å
• α: 80.525 ± 0.002°
• β: 71.175 ± 0.002°
• γ: 76.443 ± 0.002°
• Cell volume: 1410.36 ± 0.11 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.1057
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No