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Information card for entry 7241987
Preview
| Coordinates | 7241987.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C3 H14 N6 O6 |
|---|---|
| Calculated formula | C3 H14 N6 O6 |
| SMILES | Nc1n(=O)c(N)nc(N)n1=O.O.O.O.O |
| Title of publication | Synthetic and thermal studies of four insensitive energetic materials based on oxidation of the melamine structure |
| Authors of publication | Zhang, Jiarong; Bi, Fuqiang; Zhang, Junlin; Wang, Xiaohong; Yang, Zhi; Zhang, Guofang; Wang, Bozhou |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 1 |
| Pages of publication | 288 - 295 |
| a | 8.923 ± 0.002 Å |
| b | 6.9505 ± 0.0018 Å |
| c | 16.162 ± 0.004 Å |
| α | 90° |
| β | 94.259 ± 0.009° |
| γ | 90° |
| Cell volume | 999.6 ± 0.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.0313 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0796 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| 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. |
7241987.cif |
| 260143 | 2020-12-24 | cif/ Adding structures of 7241987 via cif-deposit CGI script. |
7241987.cif |
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Users of the data should acknowledge the original authors of the
structural data.