Information card for entry 7127216
| Formula |
C22 H16 O4 |
| Calculated formula |
C22 H16 O4 |
| SMILES |
O1C(=O)c2c(C(=O)OCC=C(c3cc4c(cc3)cccc4)C1)cccc2 |
| Title of publication |
Palladium-catalysed cyclisation of vinylethylene carbonates and anhydrides: a new approach to diverse medium-sized bislactones. |
| Authors of publication |
Dai, Qing-Song; Tao, Ying-Mao; Zhang, Xiang; Leng, Hai-Jun; Huang, Hua; Xiang, Peng; Li, Qing-Zhu; Wang, Qi-Wei; Li, Jun-Long |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2020 |
| Journal volume |
56 |
| Journal issue |
82 |
| Pages of publication |
12439 - 12442 |
| a |
4.857 ± 0.0004 Å |
| b |
13.6775 ± 0.0014 Å |
| c |
14.0943 ± 0.0012 Å |
| α |
114.792 ± 0.009° |
| β |
97.894 ± 0.007° |
| γ |
91.103 ± 0.007° |
| Cell volume |
838.88 ± 0.15 Å3 |
| Cell temperature |
291.3 ± 0.6 K |
| Ambient diffraction temperature |
291.3 ± 0.6 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 |
0.0846 |
| Residual factor for significantly intense reflections |
0.0745 |
| Weighted residual factors for significantly intense reflections |
0.2093 |
| Weighted residual factors for all reflections included in the refinement |
0.2242 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.067 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7127216.html
