Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7241142
Preview
| Coordinates | 7241142.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C6 H2 N8 O6 |
|---|---|
| Calculated formula | C6 H2 N8 O6 |
| SMILES | N(=O)(=O)c1nonc1c1n(=O)onc1c1nonc1N |
| Title of publication | A comparative study of the structures, thermal stabilities and energetic performances of two energetic regioisomers: 3(4)-(4-aminofurazan-3-yl)-4(3)-(4-nitrofurazan-3-yl)furoxan |
| Authors of publication | Zhang, Jiarong; Bi, Fuqiang; Zhai, Lianjie; Huo, Huan; Yang, Zhi; Wang, Bozhou |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 53 |
| Pages of publication | 31800 - 31807 |
| a | 6.188 ± 0.008 Å |
| b | 9.187 ± 0.011 Å |
| c | 10.3 ± 0.013 Å |
| α | 71.902 ± 0.018° |
| β | 84.505 ± 0.018° |
| γ | 82.972 ± 0.019° |
| Cell volume | 551.4 ± 1.2 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 | 0.0668 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.201 |
| Weighted residual factors for all reflections included in the refinement | 0.2053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241142.cif |
| 258004 | 2020-10-06 | cif/ Updating files of 7241141, 7241142 Original log message: Adding full bibliography for 7241141--7241142.cif. |
7241142.cif |
| 255709 | 2020-08-28 | cif/ Adding structures of 7241141, 7241142 via cif-deposit CGI script. |
7241142.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.