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Information card for entry 7046116
Preview
| Coordinates | 7046116.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19.75 H29 Cl2 Cu N4 O3.75 |
|---|---|
| Calculated formula | C19.75 H29 Cl2 Cu N4 O3.75 |
| 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 | 8.6653 ± 0.0005 Å |
| b | 12.8542 ± 0.0006 Å |
| c | 22.1094 ± 0.001 Å |
| α | 99.037 ± 0.005° |
| β | 93.119 ± 0.005° |
| γ | 105.051 ± 0.005° |
| Cell volume | 2336.9 ± 0.2 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 | 0.1086 |
| Residual factor for significantly intense reflections | 0.0996 |
| Weighted residual factors for significantly intense reflections | 0.2531 |
| Weighted residual factors for all reflections included in the refinement | 0.2604 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7046116.cif |
| 229895 | 2019-11-17 | cif/ Updating files of 7046115, 7046116, 7046117, 7046118 Original log message: Adding full bibliography for 7046115--7046118.cif. |
7046116.cif |
| 207487 | 2018-04-26 | cif/ Adding structures of 7046115, 7046116, 7046117, 7046118 via cif-deposit CGI script. |
7046116.cif |
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Users of the data should acknowledge the original authors of the
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