Information card for entry 4027452

Structure parameters

• Formula: C22 H18 F N O2 S
• Calculated formula: C22 H18 F N O2 S
• SMILES: c12ccccc1c(c1ccccc1)c(CF)n2S(=O)(=O)c1ccc(C)cc1
• 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: 19.4403 ± 0.0016 Å
• b: 7.8778 ± 0.0007 Å
• c: 23.408 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3584.9 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No