Crystallography Open Database

Information card for entry 7233753

Preview

Coordinates	7233753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H4 N10 O5
Calculated formula	C4 H4 N10 O5
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	10.0899 ± 0.0007 Å
b	7.744 ± 0.0005 Å
c	13.7323 ± 0.0009 Å
α	90°
β	110.922 ± 0.002°
γ	90°
Cell volume	1002.24 ± 0.12 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	0.043
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	7233753.cif
218144	2019-09-11	cif/ Adding structures of 7233753, 7233754, 7233755, 7233756 via cif-deposit CGI script.	7233753.cif