Crystallography Open Database

Information card for entry 7240192

Preview

Coordinates	7240192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H5 F N6 O6
Calculated formula	C4 H5 F N6 O6
SMILES	FC(N(=O)=O)(N(=O)=O)C1=NCN(N(=O)=O)CN1
Title of publication	A promising insensitive energetic material based on a fluorodinitromethyl explosophore group and 1,2,3,4-tetrahydro-1,3,5-triazine: synthesis, crystal structure and performance
Authors of publication	Huo, Huan; Zhang, Junlin; Dong, Jun; Zhai, Lianjie; Guo, Tao; Wang, Zijun; Bi, Fuqiang; Wang, Bozhou
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	20
Pages of publication	11816 - 11822
a	11.592 ± 0.014 Å
b	8.138 ± 0.01 Å
c	11.045 ± 0.014 Å
α	90°
β	114.12 ± 0.02°
γ	90°
Cell volume	951 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.1924
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.1752
Weighted residual factors for all reflections included in the refinement	0.2415
Goodness-of-fit parameter for all reflections included in the refinement	0.949
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258078 (current)	2020-10-06	cif/ Updating files of 7240192 Original log message: Adding full bibliography for 7240192.cif.	7240192.cif
249700	2020-03-25	cif/ Adding structures of 7240192 via cif-deposit CGI script.	7240192.cif