Information card for entry 7064372

Structure parameters

• Formula: C27 H22 Br O2 S2
• Calculated formula: C27 H22 Br O2 S2
• Title of publication: Photo-induced tandem cyclization of alkynes with sodium sulfinates to access sulfonated exocyclic alkenes
• Authors of publication: Xu, Jiefang; Fan, Haoqun; Cao, Feng; Yang , Xiao-hu; Huang, Chunyan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 5.9257 ± 0.0003 Å
• b: 16.5073 ± 0.0009 Å
• c: 24.362 ± 0.0012 Å
• α: 90°
• β: 91.913 ± 0.001°
• γ: 90°
• Cell volume: 2381.7 ± 0.2 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.0866
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1136
• 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: Yes
• Has Fobs: No