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Information card for entry 7059115
Preview
| Coordinates | 7059115.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C3 H8 N8 O9 |
|---|---|
| Calculated formula | C3 H8 N8 O9 |
| Title of publication | Materials with good energetic properties resulting from the smart combination of nitramino and dinitromethyl group with furazan |
| Authors of publication | Huang, Haifeng; Li, Ying; Yang, Jun; Pan, Renming; Lin, Xiangyang |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2017 |
| Journal volume | 41 |
| Journal issue | 15 |
| Pages of publication | 7697 |
| a | 12.6849 ± 0.0019 Å |
| b | 8.1184 ± 0.0012 Å |
| c | 20.797 ± 0.003 Å |
| α | 90° |
| β | 105.296 ± 0.003° |
| γ | 90° |
| Cell volume | 2065.8 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0378 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.0937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7059115.cif |
| 235714 | 2019-11-24 | cif/ Adding structures of 7059115, 7059116, 7059117 via cif-deposit CGI script. |
7059115.cif |
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Users of the data should acknowledge the original authors of the
structural data.