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Information card for entry 7236574
Preview
| Coordinates | 7236574.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H8 N12 O7 |
|---|---|
| Calculated formula | C8 H8 N12 O7 |
| Title of publication | Combination of four oxadiazole rings for the generation of energetic materials with high detonation performance, low sensitivity and excellent thermal stability |
| Authors of publication | Sun, Qi; Shen, Cheng; Li, Xin; Lin, Qiuhan; Lu, Ming |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 22 |
| Pages of publication | 11063 |
| a | 4.588 ± 0.0004 Å |
| b | 11.0597 ± 0.001 Å |
| c | 14.3951 ± 0.0011 Å |
| α | 90° |
| β | 91.645 ± 0.005° |
| γ | 90° |
| Cell volume | 730.13 ± 0.11 Å3 |
| Cell temperature | 172 ± 2 K |
| Ambient diffraction temperature | 172 ± 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 | 0.0701 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236314 (current) | 2019-11-24 | cif/ Adding structures of 7236570, 7236571, 7236572, 7236573, 7236574 via cif-deposit CGI script. |
7236574.cif |
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Users of the data should acknowledge the original authors of the
structural data.