Crystallography Open Database

Information card for entry 1574933

Preview

Coordinates	1574933.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2,3,4,6-Tetra-<i>O</i>-acetyl-1-[(dimethylcarbamothioyl)sulfanyl]-β-<i>D</i>-galactopyranose
Formula	C17 H25 N O9 S2
Calculated formula	C17 H25 N O9 S2
Title of publication	2,3,4,6-Tetra-O-acetyl-1-[(dimethylcarbamothioyl)sulfanyl]-β-D-galactopyranose
Authors of publication	Mohamed-Ezzat, Reham A.; Elgemeie, Galal H.; Jones, Peter G.
Journal of publication	IUCrData
Year of publication	2025
Journal volume	10
Journal issue	6
Pages of publication	x250544
a	7.28265 ± 0.0001 Å
b	8.6472 ± 0.00015 Å
c	34.8789 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2196.48 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.9 ± 0.4 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0333
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation probe	x-ray
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
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1574933.cif
300230	2025-06-26	cif/ Adding structures of 1574933 via cif-deposit CGI script.	1574933.cif