Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7247465
Preview
| Coordinates | 7247465.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H12 N10 O14 |
|---|---|
| Calculated formula | C14 H12 N10 O14 |
| Title of publication | Synthesis, characterization and properties of new heat resistant energetic materials based on two C–C bridged pyrazole and benzene skeletons |
| Authors of publication | Zhang, Rongzheng; Xu, Yuangang; Yang, Feng; Wang, Pengcheng; Lin, Qiuhan; Huang, Hui; Lu, Ming |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 41 |
| Pages of publication | 5827 - 5833 |
| a | 6.2299 ± 0.0006 Å |
| b | 7.4168 ± 0.0007 Å |
| c | 12.7696 ± 0.0012 Å |
| α | 103.819 ± 0.003° |
| β | 90.179 ± 0.003° |
| γ | 95.701 ± 0.003° |
| Cell volume | 569.9 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0898 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.1166 |
| Weighted residual factors for all reflections included in the refinement | 0.1346 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287336 (current) | 2023-11-06 | cif/ Updating files of 7247464, 7247465 Original log message: Adding full bibliography for 7247464--7247465.cif. |
7247465.cif |
| 286640 | 2023-10-04 | cif/ Adding structures of 7247464, 7247465 via cif-deposit CGI script. |
7247465.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.