Information card for entry 7158399

Structure parameters

• Formula: C22 H17 N O S
• Calculated formula: C22 H17 N O S
• SMILES: S(c1ccccc1)C(=C1\C(=O)Nc2c1cccc2)\Cc1ccccc1
• Title of publication: Stereoselective sulfenylation of oxindole-derived propargyl alcohols to access sulfenylated-3-alkenyloxindoles.
• Authors of publication: Khan, Tabassum; Rajesh, Pallava; Arun, Doma; Yaragorla, Srinivasarao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 46
• Pages of publication: 10201 - 10209
• a: 7.472 ± 0.002 Å
• b: 10.98 ± 0.003 Å
• c: 12.17 ± 0.004 Å
• α: 115.159 ± 0.012°
• β: 102.06 ± 0.013°
• γ: 95.668 ± 0.013°
• Cell volume: 863.7 ± 0.5 ų
• Cell temperature: 298.22 K
• Ambient diffraction temperature: 298.22 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: 0.1915
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No