Crystallography Open Database

Information card for entry 7054808

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Structure parameters

Formula	C18 H36 N2 O12 S2
Calculated formula	C18 H36 N2 O12 S2
SMILES	S(SCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Title of publication	Novel bio-friendly and non-toxic thiocarbohydrate stabilizers of gold nanoparticles
Authors of publication	Adokoh, Christian K.; Obuah, Collins; Kinfe, Henok H.; Zinyemba, Orpah; Darkwa, James
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	7
Pages of publication	5249
a	11.0828 ± 0.0016 Å
b	8.3612 ± 0.0012 Å
c	25.823 ± 0.004 Å
α	90°
β	92.896 ± 0.003°
γ	90°
Cell volume	2389.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.85 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0838
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7054808.cif
143730	2015-07-11	cif/ Updating files of 7054808 Original log message: Adding full bibliography for 7054808.cif.	7054808.cif
135959	2015-05-09	cif/ Adding structures of 7054808 via cif-deposit CGI script.	7054808.cif