Crystallography Open Database

Information card for entry 7059117

Preview

Coordinates	7059117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H14 N14 O7
Calculated formula	C5 H14 N14 O7
Title of publication	Materials with good energetic properties resulting from the smart combination of nitramino and dinitromethyl group with furazan
Authors of publication	Huang, Haifeng; Li, Ying; Yang, Jun; Pan, Renming; Lin, Xiangyang
Journal of publication	New Journal of Chemistry
Year of publication	2017
Journal volume	41
Journal issue	15
Pages of publication	7697
a	21.595 ± 0.006 Å
b	18.986 ± 0.006 Å
c	7.676 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3147.2 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.144
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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/7059117.html