Crystallography Open Database

Information card for entry 4127265

Preview

Coordinates	4127265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 N2 O8 S
Calculated formula	C14 H18 N2 O8 S
SMILES	[C@H]1([C@@H]([C@@H](C)O[C@@H](C1)O)OC(=O)C)NS(=O)(=O)c1ccc(cc1)N(=O)=O
Title of publication	Hydrogen-Bonding-Assisted Exogenous Nucleophilic Reagent Effect for β-Selective Glycosylation of Rare 3-Amino Sugars.
Authors of publication	Zeng, Jing; Wang, Ruobin; Zhang, Shuxin; Fang, Jing; Liu, Shanshan; Sun, Guangfei; Xu, Bingbing; Xiao, Ying; Fu, Dengxian; Zhang, Wenqi; Hu, Yixin; Wan, Qian
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	21
Pages of publication	8509 - 8515
a	7.6915 ± 0.0003 Å
b	13.4945 ± 0.0006 Å
c	16.2687 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1688.58 ± 0.12 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.0469
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223208 (current)	2019-11-04	cif/ Updating files of 4127265 Original log message: Adding full bibliography for 4127265.cif.	4127265.cif
215182	2019-05-16	cif/ Adding structures of 4127265 via cif-deposit CGI script.	4127265.cif