Crystallography Open Database

Information card for entry 7241142

Preview

Coordinates	7241142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H2 N8 O6
Calculated formula	C6 H2 N8 O6
SMILES	N(=O)(=O)c1nonc1c1n(=O)onc1c1nonc1N
Title of publication	A comparative study of the structures, thermal stabilities and energetic performances of two energetic regioisomers: 3(4)-(4-aminofurazan-3-yl)-4(3)-(4-nitrofurazan-3-yl)furoxan
Authors of publication	Zhang, Jiarong; Bi, Fuqiang; Zhai, Lianjie; Huo, Huan; Yang, Zhi; Wang, Bozhou
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	53
Pages of publication	31800 - 31807
a	6.188 ± 0.008 Å
b	9.187 ± 0.011 Å
c	10.3 ± 0.013 Å
α	71.902 ± 0.018°
β	84.505 ± 0.018°
γ	82.972 ± 0.019°
Cell volume	551.4 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.201
Weighted residual factors for all reflections included in the refinement	0.2053
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
258004 (current)	2020-10-06	cif/ Updating files of 7241141, 7241142 Original log message: Adding full bibliography for 7241141--7241142.cif.	7241142.cif
255709	2020-08-28	cif/ Adding structures of 7241141, 7241142 via cif-deposit CGI script.	7241142.cif