Information card for entry 7249546

Structure parameters

• Formula: C18 H18 N2 O6 S2
• Calculated formula: C18 H18 N2 O6 S2
• Title of publication: Ball milling-promoting difunctionalization of alkynyl sulfonium salts with sulfinic acids towards (Z)-1,2-disulfonylethenes
• Authors of publication: Yang, Li-Hua; Li, Bei; Chen, Lin; Yao, Wen-Shi; Peng, Han-Yue; Peng, Sha; Xie, Long-Yong
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 12070 - 12075
• a: 12.909 ± 0.002 Å
• b: 10.4158 ± 0.0018 Å
• c: 15.096 ± 0.003 Å
• α: 90°
• β: 96.127 ± 0.002°
• γ: 90°
• Cell volume: 2018.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0747
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No