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Information card for entry 7060448
Preview
| Coordinates | 7060448.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H20 N4 O4 |
|---|---|
| Calculated formula | C20 H20 N4 O4 |
| SMILES | o1c(=O)c(c(O)c2c1cc(N(CC)CC)cc2)/C=N/NC(=O)c1ccncc1 |
| Title of publication | A new 7-diethylamino-4-hydroxycoumarin based reversible colorimetric/fluorometric probe for sequential detection of Al3+/PPi and its potential use in biodetection and bioimaging applications |
| Authors of publication | Mathivanan, Moorthy; Tharmalingam, Balamurugan; Devaraj, Thangaraj; Murugan, Abinayaselvi; Lin, Chia-Her; Jothi, Mathivanan; Murugesapandian, Balasubramanian |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2021 |
| Journal volume | 45 |
| Journal issue | 13 |
| Pages of publication | 6067 - 6079 |
| a | 4.9758 ± 0.0002 Å |
| b | 13.6254 ± 0.0005 Å |
| c | 15.0972 ± 0.0006 Å |
| α | 63.661 ± 0.001° |
| β | 84.372 ± 0.001° |
| γ | 82.324 ± 0.001° |
| Cell volume | 908.2 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1088 |
| Residual factor for significantly intense reflections | 0.0868 |
| Weighted residual factors for significantly intense reflections | 0.2355 |
| Weighted residual factors for all reflections included in the refinement | 0.2509 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301852 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
7060448.cif |
| 264927 | 2021-05-05 | cif/ Updating files of 7060448 Original log message: Adding full bibliography for 7060448.cif. |
7060448.cif |
| 263006 | 2021-03-12 | cif/ Adding structures of 7060448 via cif-deposit CGI script. |
7060448.cif |
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Users of the data should acknowledge the original authors of the
structural data.