Information card for entry 7158975

Structure parameters

• Formula: C19 H22 N2 O2 S
• Calculated formula: C19 H22 N2 O2 S
• SMILES: S(=O)(=O)(NC)c1c(c2n(c3c(c2)cccc3)CCCC)cccc1
• 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: 8.4303 ± 0.0004 Å
• b: 10.1352 ± 0.0005 Å
• c: 11.2583 ± 0.0004 Å
• α: 80.979 ± 0.004°
• β: 71.424 ± 0.004°
• γ: 89.642 ± 0.004°
• Cell volume: 899.57 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No