Information card for entry 4518167
| Formula |
C9 H9 N Na O7 P S |
| Calculated formula |
C9 H9 N Na O7 P S |
| SMILES |
S1CC(n2c(=O)cc(cc12)C(=O)O)C(=O)O.[Na+].[PH2](=O)[O-] |
| Title of publication |
Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives |
| Authors of publication |
Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim |
| Journal of publication |
ACS Omega |
| Year of publication |
2020 |
| Journal volume |
5 |
| Journal issue |
43 |
| Pages of publication |
27756 - 27765 |
| a |
6.2307 ± 0.0003 Å |
| b |
9.0432 ± 0.0004 Å |
| c |
11.7429 ± 0.0005 Å |
| α |
97.642 ± 0.002° |
| β |
93.975 ± 0.002° |
| γ |
103.694 ± 0.002° |
| Cell volume |
633.64 ± 0.05 Å3 |
| Cell temperature |
150 K |
| Ambient diffraction temperature |
150 K |
| Number of distinct elements |
7 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0462 |
| Residual factor for significantly intense reflections |
0.0427 |
| Weighted residual factors for significantly intense reflections |
0.1057 |
| Weighted residual factors for all reflections included in the refinement |
0.1077 |
| Goodness-of-fit parameter for significantly intense reflections |
1.2 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.19 |
| 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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https://www.crystallography.net/4518167.html
