Crystallography Open Database

Information card for entry 7708741

Preview

Coordinates	7708741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H7 N9 O9
Calculated formula	C8 H7 N9 O9
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	5.0799 ± 0.0004 Å
b	21.6912 ± 0.0018 Å
c	12.8703 ± 0.0009 Å
α	90°
β	91.338 ± 0.003°
γ	90°
Cell volume	1417.78 ± 0.19 Å³
Cell temperature	160 K
Ambient diffraction temperature	160 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	0.0801
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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