Information card for entry 7131080

Structure parameters

• Formula: C21 H15 F3 N4
• Calculated formula: C21 H15 F3 N4
• SMILES: FC(F)(F)C(=C\c1[nH]c2ccccc2c1)\N(c1ccccc1)c1ncccn1
• Title of publication: Rhodium(III)-catalyzed regioselective C2-alkenylation of indoles with CF₃-imidoyl sulfoxonium ylides to give multi-functionalized enamines using a migratable directing group.
• Authors of publication: Yang, Zuguang; Tang, Jianhua; Li, Chen; Chen, Zhengkai; Wu, Xiao-Feng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 3
• Pages of publication: 318 - 321
• a: 22.365 ± 0.011 Å
• b: 8.009 ± 0.004 Å
• c: 22.159 ± 0.011 Å
• α: 90°
• β: 108.93 ± 0.007°
• γ: 90°
• Cell volume: 3754 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1603
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No