Information card for entry 7135627
| Formula |
C35 H27 F3 I N O3 |
| Calculated formula |
C35 H27 F3 I N O3 |
| Title of publication |
Copper-Catalyzed spirocyclization-oxytrifluoromethylation of alkynyl-bicyclo[1.1.0]butanes for spirobutyl quinolones synthesis |
| Authors of publication |
Xu, Peng-Cheng; Xu, Yin; Wang, Yu-Ting; Mao, Jia Ling; Teng, Xu; Zhao, Yu Yang; Zou, Xiao; Yan, Shenghu; Jia, Zheng Ren; Zuo, Hang-Dong |
| Journal of publication |
Chemical Communications |
| Year of publication |
2026 |
| a |
23.0963 ± 0.0005 Å |
| b |
9.7509 ± 0.0002 Å |
| c |
26.7974 ± 0.0006 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
6035 ± 0.2 Å3 |
| Cell temperature |
193 K |
| Ambient diffraction temperature |
193 K |
| Number of distinct elements |
6 |
| Space group number |
61 |
| Hermann-Mauguin space group symbol |
P b c a |
| Hall space group symbol |
-P 2ac 2ab |
| Residual factor for all reflections |
0.0474 |
| Residual factor for significantly intense reflections |
0.0413 |
| Weighted residual factors for significantly intense reflections |
0.1059 |
| Weighted residual factors for all reflections included in the refinement |
0.1094 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.033 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7135627.html
