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Information card for entry 7708242
Preview
| Coordinates | 7708242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H11 N13 O7 |
|---|---|
| Calculated formula | C5 H11 N13 O7 |
| SMILES | O=N(=O)[O-].O=N(=O)[O-].n12nc(n(N)c1n[nH+]c2N)c1[nH]c([nH+]n1)N.O |
| Title of publication | Synthesis of nitrogen-rich and thermostable energetic materials based on hetarenecarboxylic acids |
| Authors of publication | Lei, Caijin; Yang, Hongwei; Zhang, Qinghua; Cheng, Guangbin |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 6.5824 ± 0.0011 Å |
| b | 9.6308 ± 0.0011 Å |
| c | 11.1986 ± 0.0016 Å |
| α | 77.516 ± 0.004° |
| β | 75.288 ± 0.004° |
| γ | 89.243 ± 0.003° |
| Cell volume | 669.76 ± 0.17 Å3 |
| Cell temperature | 160 K |
| Ambient diffraction temperature | 160 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 | 0.1151 |
| Residual factor for significantly intense reflections | 0.072 |
| Weighted residual factors for significantly intense reflections | 0.177 |
| Weighted residual factors for all reflections included in the refinement | 0.2144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269052 (current) | 2021-09-09 | cif/ Adding structures of 7708240, 7708241, 7708242 via cif-deposit CGI script. |
7708242.cif |
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Users of the data should acknowledge the original authors of the
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