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Information card for entry 4341350
Preview
| Coordinates | 4341350.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H20 Cu N2 O4 S2 |
|---|---|
| Calculated formula | C28 H20 Cu N2 O4 S2 |
| Title of publication | Small Bifunctional Chelators That Do Not Disaggregate Amyloid β Fibrils Exhibit Reduced Cellular Toxicity. |
| Authors of publication | Sharma, Anuj K.; Kim, Jaekwang; Prior, John T.; Hawco, Nicholas J.; Rath, Nigam P.; Kim, Jungsu; Mirica, Liviu M. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 21 |
| Pages of publication | 11367 - 11376 |
| a | 8.3782 ± 0.0003 Å |
| b | 22.6181 ± 0.0008 Å |
| c | 12.9135 ± 0.0004 Å |
| α | 90° |
| β | 91.914 ± 0.002° |
| γ | 90° |
| Cell volume | 2445.73 ± 0.14 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1264 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1474 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4341350.cif |
| 179516 | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/13. |
4341350.cif |
| 126954 | 2014-11-12 | cif/ Updating files of 4341348, 4341349, 4341350 Original log message: Adding full bibliography for 4341348--4341350.cif. |
4341350.cif |
| 125684 | 2014-10-22 | cif/ Adding structures of 4341348, 4341349, 4341350 via cif-deposit CGI script. |
4341350.cif |
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