Crystallography Open Database

Information card for entry 7057874

Preview

Coordinates	7057874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H5 N5 O4
Calculated formula	C4 H5 N5 O4
Title of publication	An unexpected method to synthesise 1,2,4-oxadiazolone derivatives: a class of insensitive energetic materials
Authors of publication	Wang, Bohan; Xiong, Hualin; Cheng, Guangbin; Zhang, Zaichao; Yang, Hongwei
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	24
Pages of publication	19671
a	8.6418 ± 0.001 Å
b	4.985 ± 0.0005 Å
c	17.235 ± 0.002 Å
α	90°
β	104.095 ± 0.003°
γ	90°
Cell volume	720.12 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0754
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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