Crystallography Open Database

Information card for entry 7236143

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Structure parameters

Formula	C4 H8 N8 O4
Calculated formula	C4 H8 N8 O4
Title of publication	Synthesis, characterization and properties of nitrogen-rich compounds based on cyanuric acid: a promising design in the development of new energetic materials
Authors of publication	Liu, Qiangqiang; Jin, Bo; Peng, Rufang; Guo, Zhicheng; Zhao, Jun; Zhang, Qingchun; Shang, Yu
Journal of publication	Journal of Materials Chemistry A
Year of publication	2016
Journal volume	4
Journal issue	13
Pages of publication	4971
a	5.4748 ± 0.0011 Å
b	9.655 ± 0.002 Å
c	9.881 ± 0.002 Å
α	66.29 ± 0.02°
β	75.35 ± 0.03°
γ	72.33 ± 0.03°
Cell volume	450.5 ± 0.19 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 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	0.0823
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.1961
Weighted residual factors for all reflections included in the refinement	0.2125
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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