Information card for entry 7135477

Structure parameters

• Formula: C25 H16 Br N O2 S
• Calculated formula: C25 H16 Br N O2 S
• Title of publication: PhI(OCOCF₃)₂-mediated metal-free 2,3-difunctionalization of indoles: direct access to carbochalcogenated scaffolds.
• Authors of publication: Pal, Satyajit; Sarkar, Subhankar; Pramanik, Tanmay; Santra, Sougata; Majee, Adinath
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 10
• Pages of publication: 3326 - 3329
• a: 7.374 ± 0.0003 Å
• b: 8.7891 ± 0.0003 Å
• c: 16.2598 ± 0.0007 Å
• α: 92.277 ± 0.002°
• β: 94.132 ± 0.002°
• γ: 103.09 ± 0.002°
• Cell volume: 1022.05 ± 0.07 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No