Information card for entry 7128523

Structure parameters

• Formula: C27 H21 N
• Calculated formula: C27 H21 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: 9.0099 ± 0.0013 Å
• b: 10.366 ± 0.0015 Å
• c: 11.4985 ± 0.0016 Å
• α: 67.411 ± 0.002°
• β: 86.553 ± 0.002°
• γ: 87.881 ± 0.002°
• Cell volume: 989.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No