Information card for entry 7063148
| Formula |
C5 H6 N10 O4 |
| Calculated formula |
C5 H6 N10 O4 |
| Title of publication |
A heat-resistant explosive featuring an N,N′-ethylene bridged 1,2,4-1H-triazole fused ring |
| Authors of publication |
Wang, Shaoqing; Li, Congcong; Li, Shaojia; Yin, Hongquan; Ma, Qing; Chen, Fu-Xue |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2024 |
| Journal volume |
48 |
| Journal issue |
17 |
| Pages of publication |
7562 - 7565 |
| a |
11.6674 ± 0.0008 Å |
| b |
7.3765 ± 0.0005 Å |
| c |
11.8952 ± 0.0007 Å |
| α |
90° |
| β |
93.965 ± 0.002° |
| γ |
90° |
| Cell volume |
1021.3 ± 0.12 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 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 |
0.07 |
| Residual factor for significantly intense reflections |
0.0457 |
| Weighted residual factors for significantly intense reflections |
0.1078 |
| Weighted residual factors for all reflections included in the refinement |
0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.043 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7063148.html
