Crystallography Open Database

Information card for entry 7236314

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Coordinates	7236314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H4 N10 O10
Calculated formula	C6 H4 N10 O10
Title of publication	N-functionalized nitroxy/azido fused-ring azoles as high-performance energetic materials
Authors of publication	Zhang, Jiaheng; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.
Journal of publication	Journal of Materials Chemistry A
Year of publication	2016
Journal volume	4
Journal issue	19
Pages of publication	7430
a	6.4891 ± 0.0003 Å
b	8.1203 ± 0.0004 Å
c	13.7172 ± 0.0007 Å
α	98.647 ± 0.001°
β	92.085 ± 0.001°
γ	109.154 ± 0.002°
Cell volume	672.18 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0426
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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