Crystallography Open Database

Information card for entry 4121264

Preview

Coordinates	4121264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H43 Au2 F6 N O6 P2 S2
Calculated formula	C51 H43 Au2 F6 N O6 P2 S2
Title of publication	Mechanistic Insights into the Gold(I)-Catalyzed Activation of Glycosyl ortho-Alkynylbenzoates for Glycosidation
Authors of publication	Yu Tang; Jiakun Li; Yugen Zhu; Yao Li; Biao Yu
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	18396 - 18405
a	13.561 ± 0.002 Å
b	16.729 ± 0.002 Å
c	22.476 ± 0.003 Å
α	90°
β	96.641 ± 0.003°
γ	90°
Cell volume	5064.7 ± 1.2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1016
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.1842
Weighted residual factors for all reflections included in the refinement	0.1977
Goodness-of-fit parameter for all reflections included in the refinement	1.197
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
179014 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/12.	4121264.cif
107454	2014-03-19	cif/ Adding structures of 4121264 via cif-deposit CGI script.	4121264.cif