Information card for entry 7131701

Structure parameters

• Formula: C25 H24 O6.03 S2
• Calculated formula: C25 H24 O6.03 S2
• Title of publication: Iodine-mediated photoinduced tuneable disulfonylation and sulfinylsulfonylation of alkynes with sodium arylsulfinates.
• Authors of publication: Reddy, Mandapati Bhargava; McGarrigle, Eoghan M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 50
• Pages of publication: 7767 - 7770
• a: 7.4811 ± 0.0001 Å
• b: 14.9608 ± 0.0002 Å
• c: 20.8358 ± 0.0002 Å
• α: 90°
• β: 93.776 ± 0.001°
• γ: 90°
• Cell volume: 2326.95 ± 0.05 ų
• Cell temperature: 92 ± 6 K
• Ambient diffraction temperature: 92 ± 6 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: 0.0394
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No