Crystallography Open Database

Information card for entry 7059434

Preview

Coordinates	7059434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H5 N3 O5
Calculated formula	C4 H5 N3 O5
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	12.792 ± 0.007 Å
b	3.569 ± 0.0009 Å
c	29.664 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	1354.3 ± 0.9 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.12
Weighted residual factors for all reflections included in the refinement	0.1371
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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