Crystallography Open Database

Information card for entry 2023191

2023190 << 2023191 >> 2023192

Preview

Coordinates	2023191.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2',3',4',6'-Tetra-<i>O</i>-acetyl-β-<i>D</i>-glucopyranosyl <i>N</i>'-cyano-<i>N</i>-phenylcarbamimidothioate
Formula	C22 H25 N3 O9 S
Calculated formula	C22 H25 N3 O9 S
Title of publication	Crystal structures of four thioglycosides involving carbamimidothioate groups
Authors of publication	Abu-Zaied, Mamdouh A.; Nawwar, Galal A.; Elgemeie, Galal H.; Jones, Peter G.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	8
a	7.11266 ± 0.00011 Å
b	13.765 ± 0.00018 Å
c	24.385 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2387.43 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.9 ± 0.8 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	0.0329
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293350 (current)	2024-07-10	cif/ Adding structures of 2023191, 2023192, 2023193, 2023194, 2023195 via cif-deposit CGI script.	2023191.cif