Crystallography Open Database

Information card for entry 7228894

Preview

Coordinates	7228894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H4 F2 N8 O11
Calculated formula	C8 H4 F2 N8 O11
SMILES	C(COc1nc2nonc2nc1OCC(F)(N(=O)=O)N(=O)=O)(F)(N(=O)=O)N(=O)=O
Title of publication	5,6-Di(2-fluoro-2,2-dinitroethoxy)furazano[3,4-b]pyrazine: a high performance melt-cast energetic material and its polycrystalline properties
Authors of publication	Ma, Qing; Lu, Zhipeng; Liao, Longyu; Huang, Jinglun; Liu, Dabin; Li, Jinshan; Fan, Guijuan
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	62
Pages of publication	38844
a	10.833 ± 0.002 Å
b	14.932 ± 0.002 Å
c	18.906 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3058.2 ± 1 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0888
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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
199698 (current)	2017-08-10	cif/ Adding structures of 7228894, 7228895, 7228896, 7228897 via cif-deposit CGI script.	7228894.cif