Information card for entry 7044310
Formula
C3 H5 N5 O5
Calculated formula
C3 H5 N5 O5
SMILES
O=N([O-])=C(N(=O)=O)c1ncon1.[NH4+]
Title of publication
Exploiting the Energetic Potential of 1,2,4-Oxadiazole Derivatives: Combining the Benefits of 1,2,4-Oxadiazole Framework with Various Energetic Functionalities
Authors of publication
Yan, Chao; Wang, Kangcai; Liu, Tianlin; Yang, Hongwei; cheng, guangbing; Zhang, Qinghua
Journal of publication
Dalton Trans.
Year of publication
2017
a
7.0339 ± 0.0014 Å
b
7.2398 ± 0.0014 Å
c
7.9636 ± 0.0015 Å
α
84.593 ± 0.003°
β
83.386 ± 0.004°
γ
64.874 ± 0.003°
Cell volume
364.26 ± 0.12 Å3
Cell temperature
173 K
Ambient diffraction temperature
173 K
Number of distinct elements
4
Space group number
2
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Residual factor for all reflections
0.0585
Residual factor for significantly intense reflections
0.0516
Weighted residual factors for significantly intense reflections
0.1467
Weighted residual factors for all reflections included in the refinement
0.153
Goodness-of-fit parameter for all reflections included in the refinement
1.056
Diffraction radiation wavelength
0.71073 Å
Diffraction radiation type
MoKα
Has coordinates
Yes
Has disorder
No
Has Fobs
No
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