Information card for entry 7135451

Structure parameters

• Formula: C38 H42 O4 S3
• Calculated formula: C38 H42 O4 S3
• Title of publication: Stereoselective thiosulfonylation of alkynes using sodium thiosulfate as a sulfur transfer agent to access <i>bis</i>-(<i>Z</i>)-vinyl sulfones.
• Authors of publication: Tiwari, Shashikant; Kumar, Nitin; Rawat, Diwan S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 25
• Pages of publication: 6751 - 6754
• a: 6.9287 ± 0.0004 Å
• b: 24.5829 ± 0.0013 Å
• c: 20.8338 ± 0.0011 Å
• α: 90°
• β: 93.895 ± 0.005°
• γ: 90°
• Cell volume: 3540.4 ± 0.3 ų
• Cell temperature: 297.78 ± 0.17 K
• Ambient diffraction temperature: 297.78 ± 0.17 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: 0.1024
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.2118
• Weighted residual factors for all reflections included in the refinement: 0.2223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No