Information card for entry 7121627
| Formula |
C12 H12 O3 |
| Calculated formula |
C12 H12 O3 |
| Title of publication |
Synthesis of tetronic acids from propargylic alcohols and CO<sub>2</sub>. |
| Authors of publication |
Shen, Guo; Zhou, Wen-Jun; Zhang, Xiao-Bo; Cao, Guang-Mei; Zhang, Zhen; Ye, Jian-Heng; Liao, Li-Li; Li, Jing; Yu, Da-Gang |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2018 |
| Journal volume |
54 |
| Journal issue |
44 |
| Pages of publication |
5610 - 5613 |
| a |
6.7868 ± 0.0006 Å |
| b |
8.5848 ± 0.001 Å |
| c |
9.4383 ± 0.0008 Å |
| α |
87.679 ± 0.008° |
| β |
83.576 ± 0.007° |
| γ |
73.938 ± 0.009° |
| Cell volume |
525.1 ± 0.09 Å3 |
| Cell temperature |
290.8 ± 0.6 K |
| Ambient diffraction temperature |
290.8 ± 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 |
0.056 |
| Residual factor for significantly intense reflections |
0.0479 |
| Weighted residual factors for significantly intense reflections |
0.1239 |
| Weighted residual factors for all reflections included in the refinement |
0.1337 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.053 |
| Diffraction radiation probe |
x-ray |
| 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/7121627.html
