Crystallography Open Database

Information card for entry 3000466

Preview

No preview available: structure is on hold until 2024-09-18

Coordinates	Coordinates are not available: structure is on hold until 2024-09-18

Structure parameters

Formula	C7 H8 N4 S4
Authors of publication	Boris Shivachev; Vanya Kurteva; Rusi Rusew; Zhanina Petkova
Journal of publication	To be published in The Journal of Heterocyclic Chemistry
a	13.6976 ± 0.0009 Å
b	5.612 ± 0.0003 Å
c	16.5588 ± 0.0011 Å
α	90°
β	114.237 ± 0.002°
γ	90°
Cell volume	1160.69 ± 0.13 Å³
Cell temperature	290 K
Ambient diffraction temperature	290 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0722
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.