Information card for entry 7129685
Formula |
C28 H50 N36 O29 |
Calculated formula |
C26 H44 N36 O28 |
Title of publication |
Unraveling the reactivity of the azo bridge in 3,3′-(5-dinitromethyl-1,2,4-oxadiazolyl)-4,4′-azofurazanate in the synthesis of energetic compounds |
Authors of publication |
Chen, Peng; Qiu, Lili; Yin, Ping; He, Chunlin; Pang, Siping; Shreeve, Jean’ne M. |
Journal of publication |
Chemical Communications |
Year of publication |
2022 |
a |
3.6502 ± 0.0005 Å |
b |
17.024 ± 0.003 Å |
c |
41.865 ± 0.006 Å |
α |
90° |
β |
92.467 ± 0.004° |
γ |
90° |
Cell volume |
2599.1 ± 0.7 Å3 |
Cell temperature |
170 ± 2 K |
Ambient diffraction temperature |
170 ± 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 |
0.209 |
Residual factor for significantly intense reflections |
0.0969 |
Weighted residual factors for significantly intense reflections |
0.2272 |
Weighted residual factors for all reflections included in the refinement |
0.2758 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.973 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7129685.html