Crystallography Open Database

Information card for entry 7213517

Preview

Coordinates	7213517.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-(tetra-2',3',4',6'-O-acetyl-β-D-glucosyloxy)ethyl methacrylate
Formula	C20 H28 O12
Calculated formula	C20 H28 O12
SMILES	O([C@@H]1O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C)CCOC(=O)C(=C)C
Title of publication	Influence of preparation procedure on polymer composition: synthesis and characterisation of polymethacrylates bearing β-D-glucopyranoside and β-D-galactopyranoside residues
Authors of publication	Moira Ambrosi; Andrei S. Batsanov; Neil R. Cameron; Benjamin G. Davis; Judith A. K. Howard; Rob Hunter
Journal of publication	Journal of the Chemical Society, Perkin Transactions 1
Year of publication	2002
Journal issue	1
Pages of publication	45 - 52
a	8.442 ± 0.002 Å
b	12.466 ± 0.004 Å
c	21.904 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	2305.1 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.0404
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
180466 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/35.	7213517.cif
96330	2014-01-29	cif/ Adding structures of 7213517 via cif-deposit CGI script.	7213517.cif