Information card for entry 1513506

Structure parameters

• Formula: C23 H19 N O2 S
• Calculated formula: C23 H19 N O2 S
• SMILES: S([C@]1(N=C(OC1=O)c1ccccc1)Cc1ccccc1)Cc1ccccc1
• Title of publication: Highly Enantioselective Organocatalytic α-Sulfenylation of Azlactones.
• Authors of publication: Qiao, Baokun; Liu, Xinfei; Duan, Shaobo; Yan, Lin; Jiang, Zhiyong
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 672 - 675
• a: 8.404 ± 0.0002 Å
• b: 10.9966 ± 0.0002 Å
• c: 11.7955 ± 0.0004 Å
• α: 90°
• β: 110.235 ± 0.004°
• γ: 90°
• Cell volume: 1022.81 ± 0.05 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: 0.0393
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No