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Information card for entry 1515295
Preview
| Coordinates | 1515295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H17 Cl2 Cu N5 O |
|---|---|
| Calculated formula | C13 H17 Cl2 Cu N5 O |
| Title of publication | Dual-function triazole-pyridine derivatives as inhibitors of metal-induced amyloid-β aggregation. |
| Authors of publication | Jones, Michael R.; Service, Erin L.; Thompson, John R.; Wang, Michael C. P.; Kimsey, Isaac J.; DeToma, Alaina S.; Ramamoorthy, Ayyalusamy; Lim, Mi Hee; Storr, Tim |
| Journal of publication | Metallomics : integrated biometal science |
| Year of publication | 2012 |
| Journal volume | 4 |
| Journal issue | 9 |
| Pages of publication | 910 - 920 |
| a | 12.4564 ± 0.0003 Å |
| b | 8.7526 ± 0.0002 Å |
| c | 14.9349 ± 0.0004 Å |
| α | 90° |
| β | 96.602 ± 0.002° |
| γ | 90° |
| Cell volume | 1617.49 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0685 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for all reflections | 0.0925 |
| Weighted residual factors for significantly intense reflections | 0.0501 |
| Weighted residual factors for all reflections included in the refinement | 0.0443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1515295.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
1515295.cif |
| 111100 | 2014-04-20 | cif/ Adding structures of 1515295, 1515296 via cif-deposit CGI script. |
1515295.cif |
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Users of the data should acknowledge the original authors of the
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