Crystallography Open Database

Information card for entry 7708739

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Coordinates	7708739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 N24 O19
Calculated formula	C18 H20 N24 O19
Title of publication	Novel polynitro azoxypyrazole-based energetic materials with high performance
Authors of publication	Yang, Pengju; Yang, Hongwei; Zhao, Ying; Tang, Jie; Cheng, Guangbin
Journal of publication	Dalton Transactions
Year of publication	2021
a	4.7356 ± 0.0003 Å
b	8.6658 ± 0.0005 Å
c	20.0098 ± 0.0014 Å
α	87.617 ± 0.002°
β	83.852 ± 0.002°
γ	84.952 ± 0.002°
Cell volume	812.84 ± 0.09 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.1016
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1589
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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