Crystallography Open Database

Information card for entry 1542742

Preview

Structure parameters

Formula	C33 H40 O7 S
Calculated formula	C33 H40 O7 S
SMILES	[C@@H]1([C@H]2[C@H]([C@@H]([C@@H](COCc3ccccc3)O1)OCc1ccccc1)O[C@@]([C@@](C)(O2)OC)(C)OC)Sc1ccc(cc1)C
Title of publication	A versatile glycosylation strategy via Au(iii) catalyzed activation of thioglycoside donors
Authors of publication	Vibhute, Amol M.; Dhaka, Arun; Athiyarath, Vignesh; Sureshan, Kana M.
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	7
Pages of publication	4259
a	11.0077 ± 0.0006 Å
b	9.7685 ± 0.0006 Å
c	14.9709 ± 0.0007 Å
α	90°
β	103.216 ± 0.003°
γ	90°
Cell volume	1567.17 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1106
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.136
Goodness-of-fit parameter for all reflections included in the refinement	0.895
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.	1542742.cif
185107	2016-08-07	cif/ Updating files of 1542742 Original log message: Adding full bibliography for 1542742.cif.	1542742.cif
178030	2016-03-09	cif/ Adding structures of 1542742 via cif-deposit CGI script.	1542742.cif