Information card for entry 7135676

Structure parameters

• Formula: C25 H24 Br N O2 S
• Calculated formula: C25 H24 Br N O2 S
• Title of publication: Unveiling a PhSeSePh/I2-Mediated Radical Cyclisation of 2-Alkynyl-N-alkyl-N-tosylanilines: Access to 3-Sulfonyl Indoles via 1,3 Tosyl-Relocation
• Authors of publication: ., Nidhi; ., Muskan; Panda, Debanik; Verma, Akhilesh K.
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 12.0627 ± 0.0006 Å
• b: 14.3169 ± 0.0007 Å
• c: 12.8459 ± 0.0007 Å
• α: 90°
• β: 92.479 ± 0.004°
• γ: 90°
• Cell volume: 2216.4 ± 0.2 ų
• Cell temperature: 168 ± 20 K
• Ambient diffraction temperature: 168 ± 20 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: 0.0969
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No