Information card for entry 4110674

Structure parameters

• Formula: C23 H19 F3 N2 O2 S
• Calculated formula: C23 H19 F3 N2 O2 S
• SMILES: S(=O)(=O)(N[C@H](c1c[nH]c2ccccc12)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C
• Title of publication: Asymmetric Friedel-Crafts Reaction of Indoles with Imines by an Organic Catalyst
• Authors of publication: Yong-Qiang Wang; Jun Song; Ran Hong; Hongming Li; Li Deng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 8156 - 8157
• a: 18.346 ± 0.004 Å
• b: 8.6134 ± 0.0016 Å
• c: 27.741 ± 0.006 Å
• α: 90°
• β: 105.69 ± 0.003°
• γ: 90°
• Cell volume: 4220.3 ± 1.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No