Information card for entry 7160684

Structure parameters

• Formula: C21 H24 Br N O3 S2
• Calculated formula: C21 H24 Br N O3 S2
• Title of publication: Tf₂O-activated modular assembly of tetrasubstituted alkenes.
• Authors of publication: Ye, Weijian; Chen, Yuqi; Liu, Xiangning; Huang, Yiran; Zhang, Yuanyuan; Wan, Xiaobing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 36
• Pages of publication: 8181 - 8185
• a: 11.1305 ± 0.0018 Å
• b: 17.689 ± 0.002 Å
• c: 12.4682 ± 0.0019 Å
• α: 90°
• β: 112.645 ± 0.018°
• γ: 90°
• Cell volume: 2265.6 ± 0.6 ų
• Cell temperature: 223.15 K
• Ambient diffraction temperature: 223.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1436
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0382
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No