Information card for entry 7246618
Formula |
C3 H7 N9 O |
Calculated formula |
C3 H7 N9 O |
Title of publication |
A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts |
Authors of publication |
Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo |
Journal of publication |
CrystEngComm |
Year of publication |
2023 |
Journal volume |
25 |
Journal issue |
21 |
Pages of publication |
3181 - 3188 |
a |
12.9556 ± 0.0015 Å |
b |
8.7565 ± 0.001 Å |
c |
6.4841 ± 0.0008 Å |
α |
90° |
β |
104.077 ± 0.003° |
γ |
90° |
Cell volume |
713.5 ± 0.15 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/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0794 |
Residual factor for significantly intense reflections |
0.0572 |
Weighted residual factors for significantly intense reflections |
0.1306 |
Weighted residual factors for all reflections included in the refinement |
0.1412 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.178 |
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/7246618.html