Information card for entry 7158974

Structure parameters

• Formula: C17 H17 I N2 O2 S
• Calculated formula: C17 H17 I N2 O2 S
• Title of publication: Pd-catalysed intramolecular transformations of indolylbenzenesulfonamides: ortho-sulfonamido-bi(hetero)aryls via C2-arylation and polycyclic sultams via C3 arylation
• Authors of publication: Sunke, Rajnikanth; Ahmed Khan, Shabbir; Kumara Swamy, K. C.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 6.2737 ± 0.0004 Å
• b: 18.0774 ± 0.0006 Å
• c: 16.6031 ± 0.0008 Å
• α: 90°
• β: 112.875 ± 0.008°
• γ: 90°
• Cell volume: 1734.91 ± 0.18 ų
• Cell temperature: 297.54 ± 0.1 K
• Ambient diffraction temperature: 297.54 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No