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Information card for entry 7122206
Preview
| Coordinates | 7122206.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H23 Cl N2 O2 |
|---|---|
| Calculated formula | C25 H23 Cl N2 O2 |
| Title of publication | New amyloid beta-disaggregating agents: synthesis, pharmacological evaluation, crystal structure and molecular docking of <i>N</i>-(4-((7-chloroquinolin-4-yl)oxy)-3-ethoxybenzyl)amines. |
| Authors of publication | Umar, Tarana; Shalini, Shruti; Raza, Md Kausar; Gusain, Siddharth; Kumar, Jitendra; Ahmed, Waqar; Tiwari, Manisha; Hoda, Nasimul |
| Journal of publication | MedChemComm |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 11 |
| Pages of publication | 1891 - 1904 |
| a | 5.35 ± 0.004 Å |
| b | 14.08 ± 0.011 Å |
| c | 14.717 ± 0.011 Å |
| α | 101 ± 0.03° |
| β | 90.44 ± 0.03° |
| γ | 97.24 ± 0.03° |
| Cell volume | 1079 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.3659 |
| Residual factor for significantly intense reflections | 0.1973 |
| Weighted residual factors for significantly intense reflections | 0.3719 |
| Weighted residual factors for all reflections included in the refinement | 0.4426 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.172 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7122206.cif |
| 230141 | 2019-11-17 | cif/ Updating files of 7122205, 7122206 Original log message: Adding full bibliography for 7122205--7122206.cif. |
7122206.cif |
| 210013 | 2018-08-21 | cif/ Adding structures of 7122205, 7122206 via cif-deposit CGI script. |
7122206.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.