Information card for entry 7107745

Structure parameters

• Formula: C22 H22 F N O5 S
• Calculated formula: C22 H22 F N O5 S
• SMILES: S(=O)(=O)(N[C@@H](c1c(O)cc(OC)cc1OC)c1ccccc1F)c1ccc(cc1)C
• Title of publication: Enantioselective Friedel-Crafts reactions between phenols and N-tosylaldimines catalyzed by a leucine-derived bifunctional catalyst
• Authors of publication: Guo-Xing Li; Jin Qu
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5518
• a: 9.745 ± 0.003 Å
• b: 11.871 ± 0.003 Å
• c: 18.087 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2092.4 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No