Crystallography Open Database

Information card for entry 1543724

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Structure parameters

Chemical name	N-(2,3,4-Tri-O-acetyl-6-deoxy-α-L-mannopyranos -1-yl) thiourea
Formula	C13 H20 N2 O7 S
Calculated formula	C13 H20 N2 O7 S
SMILES	S=C(N[C@@H]1O[C@H]([C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C)C)N
Title of publication	Resolving the α-Glycosidic Linkage of Arginine-Rhamnosylated Translation Elongation Factor P (EF-P) Triggers Generation of the First ArgRha Specific Antibody
Authors of publication	Li, Xiang; Krafczyk, Ralph; Macosek, Jakub; Li, Yulei; Zou, Yan; Simon, Bernd; Pan, Xing; Wu, Qiuye; Yan, Fang; Hennig, Janosch; Jung, Kirsten; Lassak, Jürgen; Hu, Honggang
Journal of publication	Chem. Sci.
Year of publication	2016
a	8.984 ± 0.005 Å
b	10.648 ± 0.006 Å
c	18.894 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	1807.4 ± 1.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0624
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0809
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	0.841
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
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1543724.cif
184595	2016-07-22	cif/ Adding structures of 1543724 via cif-deposit CGI script.	1543724.cif