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Information card for entry 7229334
Preview
| Coordinates | 7229334.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H11 N9 O9 |
|---|---|
| Calculated formula | C8 H11 N9 O9 |
| SMILES | O=C(N[NH3+])NNC(=O)NN.[O-]c1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O |
| Title of publication | A facile method to prepare energetic materials (EMs) |
| Authors of publication | Wang, Qian-You; Wang, Shan; Feng, Xiao; Wu, Le; Zhang, Sheng-Han; Ding, Nan; Tong, Wen-Chao; Zhou, Ming-Rui; Wang, Bo; Yang, Li |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 76 |
| Pages of publication | 48161 |
| a | 4.6017 ± 0.0014 Å |
| b | 25.268 ± 0.008 Å |
| c | 11.95 ± 0.004 Å |
| α | 90° |
| β | 97.11° |
| γ | 90° |
| Cell volume | 1378.8 ± 0.8 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0822 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.1226 |
| Weighted residual factors for all reflections included in the refinement | 0.1362 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7229334.cif |
| 202016 | 2017-10-14 | cif/ Adding structures of 7229333, 7229334, 7229335 via cif-deposit CGI script. |
7229334.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.