Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7246847
Preview
| Coordinates | 7246847.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 6-chloro-1,2,3,4,9,10,11,12-octahydro- [1,4]-diazepine-[5,6,7-kl]-acridine monohydrochloride dihydrate |
|---|---|
| Formula | C15 H21 Cl2 N3 O2 |
| Calculated formula | C15 H21 Cl2 N3 O2 |
| Title of publication | A tetrahydroacridine derivative and its conjugate with gold nanoparticles: promising agents for the treatment of Alzheimer's disease. |
| Authors of publication | Mojzych, Ilona; Zawadzka, Anna; Kaczyńska, Katarzyna; Wojciechowski, Piotr; Zając, Dominika; Chotkowski, Maciej; Wiktorska, Katarzyna; Maurin, Jan K.; Mazur, Maciej |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 25 |
| Pages of publication | 16796 - 16806 |
| a | 7.0963 ± 0.0005 Å |
| b | 9.7638 ± 0.0007 Å |
| c | 12.7882 ± 0.0007 Å |
| α | 111.519 ± 0.006° |
| β | 96.992 ± 0.005° |
| γ | 92.865 ± 0.006° |
| Cell volume | 813.85 ± 0.1 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 | 0.088 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0702 |
| Weighted residual factors for all reflections included in the refinement | 0.0791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.762 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284977 (current) | 2023-07-05 | cif/ Updating files of 7246847 Original log message: Adding full bibliography for 7246847.cif. |
7246847.cif |
| 284058 | 2023-05-30 | cif/ Adding structures of 7246847 via cif-deposit CGI script. |
7246847.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.