Information card for entry 7155144
| Formula |
C22 H15 F O4 |
| Calculated formula |
C22 H15 F O4 |
| SMILES |
o1c(c(c2cc3OCOc3cc12)c1ccc(OC)cc1)c1cccc(c1)F |
| Title of publication |
N-Heterocyclic carbene-triggered transition-metal-free synthesis of 2,3-disubstituted benzofuran derivatives. |
| Authors of publication |
Xie, Yuanwei; Yu, Chenxia; Que, Yonglei; Li, Tuanjie; Wang, Yuhong; Lu, Yinan; Wang, Wenjing; Shen, Shide; Yao, Changsheng |
| Journal of publication |
Organic & biomolecular chemistry |
| Year of publication |
2016 |
| Journal volume |
14 |
| Journal issue |
27 |
| Pages of publication |
6463 - 6469 |
| a |
6.2368 ± 0.0003 Å |
| b |
12.0269 ± 0.0005 Å |
| c |
12.3293 ± 0.0006 Å |
| α |
107.207 ± 0.002° |
| β |
92.248 ± 0.002° |
| γ |
98.168 ± 0.002° |
| Cell volume |
871.22 ± 0.07 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1268 |
| Residual factor for significantly intense reflections |
0.0946 |
| Weighted residual factors for significantly intense reflections |
0.3069 |
| Weighted residual factors for all reflections included in the refinement |
0.3526 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.338 |
| 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/7155144.html
