Information card for entry 7247827

Structure parameters

• Formula: C29 H40 N2 O4 S Si
• Calculated formula: C29 H40 N2 O4 S Si
• Title of publication: Unexpected stereoselective CuBr2-catalyzed cascade reaction of 2-ethynylanilines with silylynamides: facile and atom-economical access to N-vinylsilylindoles
• Authors of publication: Li, Zengzeng; Lu, Fei; Xu, Qingchun; Liu, Gang; Zhao, Ximei; Wang, Guanghui
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 259 - 263
• a: 12.2243 ± 0.0004 Å
• b: 10.5039 ± 0.0003 Å
• c: 23.3691 ± 0.0008 Å
• α: 90°
• β: 91.697 ± 0.003°
• γ: 90°
• Cell volume: 2999.34 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0786
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No