Crystallography Open Database

Information card for entry 7219864

7219863 << 7219864 >> 7219865

Preview

Coordinates	7219864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H4 N16 O19
Calculated formula	C8 H4 N16 O19
Title of publication	N-Trinitroethyl-substituted azoxyfurazan: high detonation performance energetic materials
Authors of publication	Yu, Qiong; Wang, Zhixin; Yang, Hongwei; Wu, Bo; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin
Journal of publication	RSC Adv.
Year of publication	2015
a	7.6635 ± 0.0006 Å
b	9.5134 ± 0.0007 Å
c	15.1332 ± 0.0012 Å
α	90°
β	99.571 ± 0.003°
γ	90°
Cell volume	1087.94 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
180529 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/98.	7219864.cif
133892	2015-03-13	cif/ Adding structures of 7219862, 7219863, 7219864 via cif-deposit CGI script.	7219864.cif