Information card for entry 4027451

Structure parameters

• Formula: C22 H18 I N O3 S
• Calculated formula: C22 H18 I N O3 S
• SMILES: ICC1(c2c(N(S(=O)(=O)c3ccc(C)cc3)C1=O)cccc2)c1ccccc1
• Title of publication: Silver Acetate Catalyzed Hydroamination of 1-(2-(Sulfonylamino)phenyl)prop-2-yn-1-ols to (Z)-2-Methylene-1-sulfonylindolin-3-ols
• Authors of publication: Dewi Susanti; Fujiet Koh; Jeffrey Antonius Kusuma; Prasath Kothandaraman; Philip Wai Hong Chan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 7166 - 7175
• a: 10.2734 ± 0.0003 Å
• b: 17.7404 ± 0.0004 Å
• c: 14.016 ± 0.0003 Å
• α: 90°
• β: 129.904 ± 0.001°
• γ: 90°
• Cell volume: 1959.59 ± 0.09 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0287
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No