Information card for entry 4132701

Structure parameters

• Formula: C22 H24 F3 I O5 S
• Calculated formula: C22 H24 F3 I O5 S
• SMILES: [I+]1c2c(cc(c(C)c2)C)C(c2[c]1cc(C)c(C)c2)CC(=O)OCC.S(=O)(=O)([O-])C(F)(F)F
• 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: 9.6006 ± 0.0005 Å
• b: 20.3822 ± 0.001 Å
• c: 24.3422 ± 0.0013 Å
• α: 90°
• β: 99.723 ± 0.005°
• γ: 90°
• Cell volume: 4694.9 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1328
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.2442
• Weighted residual factors for all reflections included in the refinement: 0.242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No