Information card for entry 7101957

Structure parameters

• Formula: C23 H19 N O5 S2
• Calculated formula: C23 H19 N O5 S2
• SMILES: S(=O)(=O)(Oc1ccc2ccccc2c1[C@H](c1sccc1)CN(=O)=O)c1ccc(cc1)C
• Title of publication: Organocatalytic asymmetric Friedel-Crafts alkylation/cascade reactions of naphthols and nitroolefins.
• Authors of publication: Liu, Tian-Yu; Cui, Hai-Lei; Chai, Qian; Long, Jun; Li, Bang-Jing; Wu, Yong; Ding, Li-Sheng; Chen, Ying-Chun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 22
• Pages of publication: 2228 - 2230
• a: 10.09 ± 0.002 Å
• b: 10.883 ± 0.002 Å
• c: 20.027 ± 0.004 Å
• α: 90°
• β: 101.95 ± 0.02°
• γ: 90°
• Cell volume: 2151.5 ± 0.7 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0856
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No