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Information card for entry 1508516
Preview
| Coordinates | 1508516.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H20 Cu N2 O2 |
|---|---|
| Calculated formula | C22 H20 Cu N2 O2 |
| SMILES | [Cu]12(Oc3c(cc(c4ccc[n]1c34)C)C)Oc1c(cc(c3ccc[n]2c13)C)C |
| Title of publication | Copper-dependent cytotoxicity of 8-hydroxyquinoline derivatives correlates with their hydrophobicity and does not require caspase activation. |
| Authors of publication | Tardito, Saverio; Barilli, Amelia; Bassanetti, Irene; Tegoni, Matteo; Bussolati, Ovidio; Franchi-Gazzola, Renata; Mucchino, Claudio; Marchi uciano |
| Journal of publication | Journal of medicinal chemistry |
| Year of publication | 2012 |
| Journal volume | 55 |
| Journal issue | 23 |
| Pages of publication | 10448 - 10459 |
| a | 9.242 ± 0.003 Å |
| b | 10.288 ± 0.003 Å |
| c | 14.494 ± 0.004 Å |
| α | 77.219 ± 0.005° |
| β | 84.291 ± 0.004° |
| γ | 80.289 ± 0.005° |
| Cell volume | 1321.9 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.095 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1273 |
| Weighted residual factors for all reflections included in the refinement | 0.1496 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1508516.cif |
| 215051 | 2019-05-13 | cif/1 Fixing Z values and formulae |
1508516.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508516.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508516.cif |
| 72026 | 2013-01-21 | cif/ Adding structures of 1508516 via cif-deposit CGI script. |
1508516.cif |
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Users of the data should acknowledge the original authors of the
structural data.