Crystallography Open Database

Information card for entry 7233755

Preview

Coordinates	7233755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H11 N11 O4
Calculated formula	C4 H11 N11 O4
Title of publication	Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties
Authors of publication	Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	40
Pages of publication	6093
a	9.0312 ± 0.0004 Å
b	18.6286 ± 0.0007 Å
c	6.5567 ± 0.0003 Å
α	90°
β	96.737 ± 0.002°
γ	90°
Cell volume	1095.47 ± 0.08 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1411
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
223628 (current)	2019-11-07	cif/ Updating files of 7233753, 7233754, 7233755, 7233756 Original log message: Adding full bibliography for 7233753--7233756.cif.	7233755.cif
218144	2019-09-11	cif/ Adding structures of 7233753, 7233754, 7233755, 7233756 via cif-deposit CGI script.	7233755.cif