Crystallography Open Database

Information card for entry 7235803

Preview

Coordinates	7235803.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2,4-di-nitro-NNO-azoxytoluene
Formula	C7 H6 N6 O6
Calculated formula	C7 H6 N6 O6
Title of publication	A comparative study of the structure, energetic performance and stability of nitro-NNO-azoxy substituted explosives
Authors of publication	Wang, Yuan; Li, Shenghua; Li, Yuchuan; Zhang, Rubo; Wang, Dong; Pang, Siping
Journal of publication	J. Mater. Chem. A
Year of publication	2014
Journal volume	2
Journal issue	48
Pages of publication	20806
a	5.3336 ± 0.0013 Å
b	7.9688 ± 0.0019 Å
c	25.494 ± 0.006 Å
α	90°
β	94.454 ± 0.003°
γ	90°
Cell volume	1080.3 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 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	0.049
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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