Crystallography Open Database

Information card for entry 7058774

Preview

Coordinates	7058774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H6 F2 N4 O6
Calculated formula	C4 H6 F2 N4 O6
Title of publication	Energetic materials with fluorinated four-membered heterocyclic ring: 3,3′-difluoroazetidine (DFAZ) salts
Authors of publication	Chen, Jifeng; Yu, Yi; Zhang, Shujuan; Li, Yuchuan; Pang, Siping
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	38
Pages of publication	15115
a	5.7184 ± 0.0004 Å
b	8.2861 ± 0.001 Å
c	9.6182 ± 0.0007 Å
α	100.379 ± 0.008°
β	103.018 ± 0.006°
γ	92.979 ± 0.008°
Cell volume	434.72 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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/7058774.html