Crystallography Open Database

Information card for entry 7059429

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Coordinates	7059429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H2 N12 O10
Calculated formula	C10 H2 N12 O10
Title of publication	1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship
Authors of publication	Yan, Tingou; Cheng, Guangbin; Yang, Hongwei
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	16
Pages of publication	6643 - 6651
a	12.622 ± 0.0004 Å
b	5.8838 ± 0.0002 Å
c	11.1302 ± 0.0003 Å
α	90°
β	107.75 ± 0.001°
γ	90°
Cell volume	787.24 ± 0.04 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0754
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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