Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7249076
Preview
| Coordinates | 7249076.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H17 N5 O3 |
|---|---|
| Calculated formula | C18 H17 N5 O3 |
| Title of publication | Development of di-arylated 1,2,4-triazole-based derivatives as therapeutic agents against breast cancer: synthesis and biological evaluation |
| Authors of publication | Deb, Mousumi; Singh, Hoshiyar; Manhas, Diksha; Nandi, Utpal; Guru, Santosh Kumar; Das, Parthasarathi |
| Journal of publication | RSC Medicinal Chemistry |
| Year of publication | 2024 |
| a | 13.0154 ± 0.0005 Å |
| b | 6.8065 ± 0.0002 Å |
| c | 20.5824 ± 0.0006 Å |
| α | 90° |
| β | 105.985 ± 0.003° |
| γ | 90° |
| Cell volume | 1752.88 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0897 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.0999 |
| Weighted residual factors for all reflections included in the refinement | 0.1128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.931 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293501 (current) | 2024-07-23 | cif/ Adding structures of 7249076 via cif-deposit CGI script. |
7249076.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.