Information card for entry 7248377
| Formula |
C9 H3 Cl3 N4 O5 |
| Calculated formula |
C9 H3 Cl3 N4 O5 |
| Title of publication |
3-(3,5-Dinitrophenyl)-5-amino-1,2,4-oxadiazole：Synthesis, Structure and Properties of a Novel Insensitive Energetic Material |
| Authors of publication |
Zhao, Binshan; Kuang, Baolong; Sun, Mou; Wang, Tingwei; Zhang, Chao; Xu, Meiqi; Li, Cong; Lu, Zu-Jia; Zhang, Jianguo |
| Journal of publication |
CrystEngComm |
| Year of publication |
2024 |
| a |
5.424 ± 0.0008 Å |
| b |
10.6544 ± 0.0014 Å |
| c |
11.243 ± 0.007 Å |
| α |
90° |
| β |
101.4 ± 0.03° |
| γ |
90° |
| Cell volume |
636.9 ± 0.4 Å3 |
| Cell temperature |
120.1 ± 0.2 K |
| Ambient diffraction temperature |
120.1 ± 0.2 K |
| Number of distinct elements |
5 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.0463 |
| Residual factor for significantly intense reflections |
0.0402 |
| Weighted residual factors for significantly intense reflections |
0.0687 |
| Weighted residual factors for all reflections included in the refinement |
0.0732 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.998 |
| Diffraction radiation probe |
x-ray |
| 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/7248377.html
