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Information card for entry 1520674
Preview
| Coordinates | 1520674.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H33 N3 Na O10 Re S |
|---|---|
| Calculated formula | C28 H33 N3 Na O10 Re S |
| SMILES | C(#[O])[Re]12(C#[O])(C#[O])[N](CC(=O)O1)(CC(=O)O2)CCCCCCOc1ccc2c(c1)sc(c1ccc(cc1)N(C)C)n2.[Na+].O.O |
| Title of publication | (99m)Tc(CO)3-Labeled Benzothiazole Derivatives Preferentially Bind Cerebrovascular Amyloid: Potential Use as Imaging Agents for Cerebral Amyloid Angiopathy. |
| Authors of publication | Jia, Jianhua; Cui, Mengchao; Dai, Jiapei; Liu, Boli |
| Journal of publication | Molecular pharmaceutics |
| Year of publication | 2015 |
| Journal volume | 12 |
| Journal issue | 8 |
| Pages of publication | 2937 - 2946 |
| a | 31.609 ± 0.003 Å |
| b | 10.4939 ± 0.0011 Å |
| c | 9.2829 ± 0.001 Å |
| α | 90° |
| β | 96.146 ± 0.002° |
| γ | 90° |
| Cell volume | 3061.5 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.051 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.1016 |
| Weighted residual factors for all reflections included in the refinement | 0.1045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520674.cif |
| 154720 | 2015-09-06 | cif/ Updating files of 1520674 Original log message: Adding full bibliography for 1520674.cif. |
1520674.cif |
| 139654 | 2015-06-26 | cif/ Adding structures of 1520674 via cif-deposit CGI script. |
1520674.cif |
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Users of the data should acknowledge the original authors of the
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