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Information card for entry 1558692
Preview
| Coordinates | 1558692.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H22 N4 O3 |
|---|---|
| Calculated formula | C22 H22 N4 O3 |
| SMILES | c1(ccccc1)OCc1cn(c2c(=O)oc3c(c2)ccc(c3)N(CC)CC)nn1 |
| Title of publication | Unusual absence of FRET in triazole bridged coumarin-hydroxyquinoline, an active sensor for Hg2+ detection. |
| Authors of publication | Mondal, Surajit; Patra, Niladri; Nayek, Hari Pada; Hira, Sumit K.; Chatterjee, Soumit; Dey, Swapan |
| Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
| Year of publication | 2020 |
| Journal volume | 19 |
| Journal issue | 9 |
| Pages of publication | 1211 - 1221 |
| a | 9.521 ± 0.0011 Å |
| b | 19.764 ± 0.002 Å |
| c | 10.8022 ± 0.0012 Å |
| α | 90° |
| β | 103.759 ± 0.012° |
| γ | 90° |
| Cell volume | 1974.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0998 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1366 |
| Weighted residual factors for all reflections included in the refinement | 0.1536 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.18 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1558692.cif |
| 257928 | 2020-10-06 | cif/ Updating files of 1558692, 1558693, 1558694 Original log message: Adding full bibliography for 1558692--1558694.cif. |
1558692.cif |
| 254668 | 2020-07-30 | cif/ Adding structures of 1558692, 1558693, 1558694 via cif-deposit CGI script. |
1558692.cif |
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Users of the data should acknowledge the original authors of the
structural data.