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Information card for entry 7240099
Preview
| Coordinates | 7240099.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H19 N3 O |
|---|---|
| Calculated formula | C18 H19 N3 O |
| SMILES | Oc1c(/C=N/c2cccc(c2)C#N)ccc(N(CC)CC)c1 |
| Title of publication | Photophysical transformations induced by chemical substitution to salicylaldimines. |
| Authors of publication | Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 12 |
| Pages of publication | 6698 - 6705 |
| a | 14.488 ± 0.008 Å |
| b | 6.787 ± 0.002 Å |
| c | 16.457 ± 0.008 Å |
| α | 90° |
| β | 98.99 ± 0.05° |
| γ | 90° |
| Cell volume | 1598.3 ± 1.3 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 | 0.1829 |
| Residual factor for significantly intense reflections | 0.0616 |
| Weighted residual factors for significantly intense reflections | 0.1171 |
| Weighted residual factors for all reflections included in the refinement | 0.1586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240099.cif |
| 250378 | 2020-04-05 | cif/ Updating files of 7240097, 7240098, 7240099, 7240100, 7240101, 7240102 Original log message: Adding full bibliography for 7240097--7240102.cif. |
7240099.cif |
| 249224 | 2020-03-10 | cif/ Adding structures of 7240097, 7240098, 7240099, 7240100, 7240101, 7240102 via cif-deposit CGI script. |
7240099.cif |
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Users of the data should acknowledge the original authors of the
structural data.