Information card for entry 1545884

Structure parameters

• Formula: C23 H23 N O4 S
• Calculated formula: C23 H23 N O4 S
• SMILES: S(=O)(=O)(N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)OC)c1ccc(cc1)C
• Title of publication: Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters.
• Authors of publication: Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 2322 - 2325
• a: 12.542 ± 0.004 Å
• b: 5.445 ± 0.0017 Å
• c: 15.507 ± 0.004 Å
• α: 90°
• β: 94.578 ± 0.006°
• γ: 90°
• Cell volume: 1055.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0511
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No