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Information card for entry 7046118
Preview
| Coordinates | 7046118.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H47 Cl Fe N6 O8.5 |
|---|---|
| Calculated formula | C37 H47 Cl Fe N6 O8.5 |
| Title of publication | Novel chelators based on adamantane-derived semicarbazones and hydrazones that target multiple hallmarks of Alzheimer's disease. |
| Authors of publication | Palanimuthu, Duraippandi; Wu, Zhixuan; Jansson, Patric J.; Braidy, Nady; Bernhardt, Paul V.; Richardson, Des R.; Kalinowski, Danuta S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 21 |
| Pages of publication | 7190 - 7205 |
| a | 11.0978 ± 0.0009 Å |
| b | 12.7887 ± 0.001 Å |
| c | 14.2619 ± 0.0012 Å |
| α | 77.005 ± 0.007° |
| β | 81.372 ± 0.007° |
| γ | 87.444 ± 0.007° |
| Cell volume | 1949.9 ± 0.3 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0733 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1526 |
| Weighted residual factors for all reflections included in the refinement | 0.1656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7046118.cif |
| 229895 | 2019-11-17 | cif/ Updating files of 7046115, 7046116, 7046117, 7046118 Original log message: Adding full bibliography for 7046115--7046118.cif. |
7046118.cif |
| 207487 | 2018-04-26 | cif/ Adding structures of 7046115, 7046116, 7046117, 7046118 via cif-deposit CGI script. |
7046118.cif |
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Users of the data should acknowledge the original authors of the
structural data.