Information card for entry 7160046

Structure parameters

• Formula: C3.87 H3.63 F0.13 N0.25 O0.75 S0.13
• Calculated formula: C3.875 H3.625 F0.125 N0.25 O0.75 S0.125
• Title of publication: Au(I)/Sc(III)-co-catalyzed tandem spiroannulation/cycloisomerization of 3-(2-ethynylaryl)-<i>N</i>-tosylaziridines with indoles to access 5<i>H</i>-benzo[<i>b</i>]carbazoles.
• Authors of publication: Wang, Wei; Zheng, Lan; Liang, Wen-Jie; Fu, Xin-Yi; Zhang, Yu-Qing; Meng, Ru-Fang; Zhang, Huan; Lin, Chenxiang; Su, Wei; Xiao, Jun-An
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 29
• Pages of publication: 5999 - 6003
• a: 12.9151 ± 0.0017 Å
• b: 15.309 ± 0.002 Å
• c: 14.3386 ± 0.0018 Å
• α: 90°
• β: 98.673 ± 0.002°
• γ: 90°
• Cell volume: 2802.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1341
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No