Information card for entry 7135823

Structure parameters

• Formula: C36 H33 N3 O4 S4
• Calculated formula: C36 H33 N3 O4 S4
• Title of publication: Metal-Free Iodine-Promoted Strategy for the Synthesis of C2,C3-Bissulfenylated Indoles
• Authors of publication: Singh, Gargi; Arockiaraj, Mariyaraj; Mothilal , Kishor Kumar; Rajeshkumar, Venkatachalam
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 13.1897 ± 0.0013 Å
• b: 17.432 ± 0.002 Å
• c: 17.3845 ± 0.0019 Å
• α: 90°
• β: 107.838 ± 0.004°
• γ: 90°
• Cell volume: 3804.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.2032
• Residual factor for significantly intense reflections: 0.1176
• Weighted residual factors for significantly intense reflections: 0.3054
• Weighted residual factors for all reflections included in the refinement: 0.3596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.393
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No