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Information card for entry 7028462
Preview
| Coordinates | 7028462.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H19 N3 O S |
|---|---|
| Calculated formula | C18 H19 N3 O S |
| Title of publication | Al(3+) selective colorimetric and fluorescent red shifting chemosensor: application in living cell imaging. |
| Authors of publication | Patil, Rahul; Moirangthem, Anuradha; Butcher, Ray; Singh, Narinder; Basu, Anupam; Tayade, Kundan; Fegade, Umesh; Hundiwale, Dilip; Kuwar, Anil |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 7 |
| Pages of publication | 2895 - 2899 |
| a | 7.19959 ± 0.00018 Å |
| b | 21.7936 ± 0.0005 Å |
| c | 10.1893 ± 0.0002 Å |
| α | 90° |
| β | 90.215 ± 0.002° |
| γ | 90° |
| Cell volume | 1598.74 ± 0.06 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0414 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0993 |
| Weighted residual factors for all reflections included in the refinement | 0.1022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7028462.cif |
| 179990 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/84. |
7028462.cif |
| 105325 | 2014-03-12 | cif/ Adding structures of 7028462 via cif-deposit CGI script. |
7028462.cif |
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Users of the data should acknowledge the original authors of the
structural data.