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Information card for entry 7033352
Preview
| Coordinates | 7033352.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H12 Br2 N2 O Zn |
|---|---|
| Calculated formula | C13 H12 Br2 N2 O Zn |
| SMILES | Br[Zn]12(Br)[O](c3c([N]2=Cc2[n]1cccc2)cccc3)C |
| Title of publication | Insight into inhibition of the human amyloid beta protein precursor (APP: PDB ID ) using (E)-N-(pyridin-2-ylmethylene)arylamine (LR) models: structure elucidation of a family of ZnX2-LR complexes. |
| Authors of publication | Basu Baul, Tushar S.; Kundu, Sajal; Singh, Palwinder; Shaveta, ?; Guedes da Silva, M Fátima C |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 5 |
| Pages of publication | 2359 - 2369 |
| a | 8.1266 ± 0.0007 Å |
| b | 24.5537 ± 0.0015 Å |
| c | 7.9491 ± 0.0006 Å |
| α | 90° |
| β | 115.788 ± 0.01° |
| γ | 90° |
| Cell volume | 1428.2 ± 0.2 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0816 |
| Residual factor for significantly intense reflections | 0.0653 |
| Weighted residual factors for significantly intense reflections | 0.172 |
| Weighted residual factors for all reflections included in the refinement | 0.1878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180039 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/33. |
7033352.cif |
| 133369 | 2015-03-06 | cif/ Updating files of 7033351, 7033352, 7033353, 7033354, 7033355 Original log message: Adding full bibliography for 7033351--7033355.cif. |
7033352.cif |
| 128484 | 2014-12-09 | cif/ Adding structures of 7033351, 7033352, 7033353, 7033354, 7033355 via cif-deposit CGI script. |
7033352.cif |
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Users of the data should acknowledge the original authors of the
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