Crystallography Open Database

Information card for entry 7241141

Preview

Coordinates	7241141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H2 N8 O6
Calculated formula	C6 H2 N8 O6
SMILES	N(=O)(=O)c1nonc1c1non(=O)c1c1nonc1N
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	7.7624 ± 0.0012 Å
b	13.253 ± 0.002 Å
c	10.4256 ± 0.0016 Å
α	90°
β	104.1 ± 0.002°
γ	90°
Cell volume	1040.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0371
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	7241141.cif
255709	2020-08-28	cif/ Adding structures of 7241141, 7241142 via cif-deposit CGI script.	7241141.cif