Information card for entry 7159837
| Formula |
C29 H24 F3 N3 O3 S |
| Calculated formula |
C29 H24 F3 N3 O3 S |
| Title of publication |
Construction of 1,3,4-oxadiazolines bearing CF3-quaternary centers via amino-assisted [3 + 2] cycloadditions |
| Authors of publication |
Zhu, Yannan; Bo, Fang; Wang, Xuying; Jiang, Qianxi; Li, Qiuyun; Han, Zhongfei; Wang, Yi-Ning; Qi, Gang |
| Journal of publication |
Organic & Biomolecular Chemistry |
| Year of publication |
2024 |
| Journal volume |
22 |
| Journal issue |
7 |
| Pages of publication |
1391 - 1394 |
| a |
9.2123 ± 0.0003 Å |
| b |
13.9474 ± 0.0006 Å |
| c |
20.68 ± 0.0007 Å |
| α |
100.472 ± 0.003° |
| β |
92.038 ± 0.003° |
| γ |
92.699 ± 0.003° |
| Cell volume |
2607.33 ± 0.17 Å3 |
| Cell temperature |
113 ± 2 K |
| Ambient diffraction temperature |
113 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0862 |
| Residual factor for significantly intense reflections |
0.0624 |
| Weighted residual factors for significantly intense reflections |
0.1567 |
| Weighted residual factors for all reflections included in the refinement |
0.1799 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.032 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7159837.html
