Information card for entry 7118278

Structure parameters

• Formula: C30 H25 F N2 O3 S
• Calculated formula: C30 H25 F N2 O3 S
• SMILES: S(=O)(=O)(Nc1cc2[C@@H]([C@H](Oc2cc1)c1cn(C)c2ccc(F)cc12)c1ccccc1)c1ccc(cc1)C
• Title of publication: Diastereo- and enantioselective construction of an indole-based 2,3-dihydrobenzofuran scaffold via catalytic asymmetric [3+2] cyclizations of quinone monoimides with 3-vinylindoles.
• Authors of publication: Sun, Xiao-Xue; Zhang, Hong-Hao; Li, Guo-Hao; Meng, Li; Shi, Feng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 14
• Pages of publication: 2968 - 2971
• a: 5.552 ± 0.003 Å
• b: 17.133 ± 0.008 Å
• c: 13.413 ± 0.006 Å
• α: 90°
• β: 93.446 ± 0.007°
• γ: 90°
• Cell volume: 1273.6 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.2076
• Weighted residual factors for all reflections included in the refinement: 0.2371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No