Information card for entry 4132700

Structure parameters

• Formula: C19 H20 I N O3 S
• Calculated formula: C19 H20 I N O3 S
• SMILES: Ic1c([C@H](c2c(SC(=O)C)cccc2)CC(=O)N(OC)C)cccc1
• Title of publication: Cu-Catalyzed Enantioselective Ring Opening of Cyclic Diaryliodoniums toward the Synthesis of Chiral Diarylmethanes.
• Authors of publication: Li, Bin; Chao, Zengyin; Li, Chunyu; Gu, Zhenhua
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 30
• Pages of publication: 9400 - 9403
• a: 7.5582 ± 0.0002 Å
• b: 14.1096 ± 0.0005 Å
• c: 9.6456 ± 0.0003 Å
• α: 90°
• β: 107.998 ± 0.003°
• γ: 90°
• Cell volume: 978.3 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No