Crystallography Open Database

Information card for entry 7059433

Preview

Coordinates	7059433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H6 N12 O12
Calculated formula	C10 H6 N12 O12
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	9.3522 ± 0.0003 Å
b	11.3926 ± 0.0005 Å
c	17.9538 ± 0.0007 Å
α	90°
β	98.457 ± 0.001°
γ	90°
Cell volume	1892.1 ± 0.13 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.0768
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1332
Weighted residual factors for all reflections included in the refinement	0.1509
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7059433.html