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Information card for entry 4515127
Preview
| Coordinates | 4515127.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H13 N3 O2 |
|---|---|
| Calculated formula | C13 H13 N3 O2 |
| SMILES | OC(=C\C(=O)c1nn(c(c1)C)C)/c1ncccc1 |
| Title of publication | Highly Selective Removal of Pb(II) by a Pyridylpyrazole-β-ketoenol Receptor Covalently Bonded onto the Silica Surface. |
| Authors of publication | Tighadouini, Said; Radi, Smaail; Ferbinteanu, Marilena; Garcia, Yann |
| Journal of publication | ACS omega |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 2 |
| Pages of publication | 3954 - 3964 |
| a | 7.488 ± 0.004 Å |
| b | 8.724 ± 0.004 Å |
| c | 9.661 ± 0.004 Å |
| α | 93.316 ± 0.019° |
| β | 100.23 ± 0.02° |
| γ | 91.98 ± 0.02° |
| Cell volume | 619.4 ± 0.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.1045 |
| Residual factor for significantly intense reflections | 0.0758 |
| Weighted residual factors for significantly intense reflections | 0.2164 |
| Weighted residual factors for all reflections included in the refinement | 0.2442 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220241 (current) | 2019-10-28 | cif/ Adding structures of 4515127 via cif-deposit CGI script. |
4515127.cif |
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Users of the data should acknowledge the original authors of the
structural data.