Information card for entry 7158978

Structure parameters

• Formula: C19 H18 N2 O2 S
• Calculated formula: C19 H18 N2 O2 S
• SMILES: S1(=O)(=O)N(c2n(c3c(c2c2cc(C)ccc12)cccc3)CC=C)C
• 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: 37.1188 ± 0.0012 Å
• b: 7.4217 ± 0.0002 Å
• c: 11.9822 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3300.9 ± 0.2 ų
• Cell temperature: 270 ± 40 K
• Ambient diffraction temperature: 270 ± 40 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No