Crystallography Open Database

Information card for entry 4113007

Preview

Coordinates	4113007.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Methyl-O-(3,6-anhydro-2,4-di-O-benzyl-β-D-glucopyranoside)-(1-6)-2,3,4-tri -O-benzyl-α-D-glucopyranoside
Formula	C48 H52 O10
Calculated formula	C48 H52 O10
Title of publication	Conformational Effects on Glycoside Reactivity: Study of the High Reactive Conformer of Glucose
Authors of publication	Ciaran McDonnell; Oscar López; Paul Murphy; José G. Fernández Bolaños; Rita Hazell; Mikael Bols
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	12374 - 12385
a	10.168 ± 0.003 Å
b	8.673 ± 0.003 Å
c	23.85 ± 0.007 Å
α	90°
β	100.382 ± 0.005°
γ	90°
Cell volume	2068.8 ± 1.1 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
178901 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/30.	4113007.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113007.cif
65427	2012-09-05	cif/ Adding structures of 4113007 via cif-deposit CGI script.	4113007.cif