Information card for entry 7107744

Structure parameters

• Formula: C24 H27 N O5 S
• Calculated formula: C24 H27 N O5 S
• SMILES: S(=O)(=O)(N[C@H](c1cc(cc(c1)C)C)c1c(O)cc(OC)cc1OC)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: 14.142 ± 0.004 Å
• b: 8.134 ± 0.002 Å
• c: 19.517 ± 0.005 Å
• α: 90°
• β: 92.482 ± 0.005°
• γ: 90°
• Cell volume: 2243 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No