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Information card for entry 7057140
Preview
| Coordinates | 7057140.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 2-[(2-indol-3-yl-ethyl)iminomethyl]-5-methylphenol |
|---|---|
| Formula | C18 H18 N2 O |
| Calculated formula | C18 H18 N2 O |
| Title of publication | Designing model imino bifunctional chelators for radiopharmaceuticals – in vitro antitumor activity, photoluminescence and structural analysis |
| Authors of publication | Brink, Alice; Kroon, Robin E.; Visser, Hendrik G.; van Rensburg, Constance E. J.; Roodt, Andreas |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 7 |
| Pages of publication | 5193 |
| a | 6.0722 ± 0.0003 Å |
| b | 8.3073 ± 0.0003 Å |
| c | 14.1215 ± 0.0006 Å |
| α | 98.482 ± 0.002° |
| β | 96.914 ± 0.002° |
| γ | 94.487 ± 0.002° |
| Cell volume | 696.07 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 significantly intense reflections | 0.0432 |
| Weighted residual factors for all reflections included in the refinement | 0.1221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7057140.cif |
| 230419 | 2019-11-17 | cif/ Updating files of 7057138, 7057139, 7057140, 7057141, 7057142 Original log message: Adding full bibliography for 7057138--7057142.cif. |
7057140.cif |
| 206857 | 2018-03-09 | cif/ Adding structures of 7057138, 7057139, 7057140, 7057141, 7057142 via cif-deposit CGI script. |
7057140.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.