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Information card for entry 1558693
Preview
| Coordinates | 1558693.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H23 N5 O3 |
|---|---|
| Calculated formula | C25 H23 N5 O3 |
| SMILES | c1c(COc2cccc3c2nccc3)nnn1c1c(=O)oc2c(c1)ccc(c2)N(CC)CC |
| 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 | 9.6779 ± 0.0008 Å |
| b | 10.4548 ± 0.001 Å |
| c | 12.1262 ± 0.001 Å |
| α | 112.874 ± 0.009° |
| β | 91.882 ± 0.007° |
| γ | 103.594 ± 0.007° |
| Cell volume | 1088.16 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0977 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1163 |
| Weighted residual factors for all reflections included in the refinement | 0.1334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| 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. |
1558693.cif |
| 257928 | 2020-10-06 | cif/ Updating files of 1558692, 1558693, 1558694 Original log message: Adding full bibliography for 1558692--1558694.cif. |
1558693.cif |
| 254668 | 2020-07-30 | cif/ Adding structures of 1558692, 1558693, 1558694 via cif-deposit CGI script. |
1558693.cif |
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Users of the data should acknowledge the original authors of the
structural data.