Information card for entry 7128524

Structure parameters

• Formula: C20 H15 N
• Calculated formula: C20 H15 N
• Title of publication: Metal-free dearomative [5+2]/[2+2] cycloaddition of 1<i>H</i>-indoles with <i>ortho</i>-(trimethylsilyl)aryl triflates.
• Authors of publication: Chen, Xinyu; Yang, Na; Zeng, Wen; Wang, Lei; Li, Pinhua; Li, Hongji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 57
• Pages of publication: 7047 - 7050
• a: 18.566 ± 0.002 Å
• b: 5.4612 ± 0.0007 Å
• c: 14.391 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1459.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No