Information card for entry 7044308
Formula
C3 H5 N7 O2
Calculated formula
C3 H5 N7 O2
SMILES
n1conc1c1nnnn1[O-].[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
3.7059 ± 0.0009 Å
b
25.344 ± 0.006 Å
c
7.2132 ± 0.0017 Å
α
90°
β
101.824 ± 0.004°
γ
90°
Cell volume
663.1 ± 0.3 Å3
Cell temperature
173 K
Ambient diffraction temperature
173 K
Number of distinct elements
4
Space group number
9
Hermann-Mauguin space group symbol
C 1 c 1
Hall space group symbol
C -2yc
Residual factor for all reflections
0.0409
Residual factor for significantly intense reflections
0.0354
Weighted residual factors for significantly intense reflections
0.0746
Weighted residual factors for all reflections included in the refinement
0.0776
Goodness-of-fit parameter for all reflections included in the refinement
1.032
Diffraction radiation wavelength
0.71073 Å
Diffraction radiation type
MoKα
Has coordinates
Yes
Has disorder
No
Has Fobs
No
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