Crystallography Open Database

Information card for entry 4511020

Preview

Coordinates	4511020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 O6
Calculated formula	C20 H20 O6
SMILES	C1(c2ccc(cc2)OC)C(C(c2ccc(cc2)OC)C1C(=O)O)C(=O)O
Title of publication	Effect of polymer cross-links on oxygen diffusion in glassy PMMA films.
Authors of publication	Klinger, Markus; Tolbod, Lars Poulsen; Gothelf, Kurt V.; Ogilby, Peter R.
Journal of publication	ACS applied materials & interfaces
Year of publication	2009
Journal volume	1
Journal issue	3
Pages of publication	661 - 667
a	5.4015 ± 0.0004 Å
b	8.1001 ± 0.0006 Å
c	10.5161 ± 0.0007 Å
α	89.601 ± 0.005°
β	84.818 ± 0.005°
γ	72.954 ± 0.004°
Cell volume	438.01 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0912
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
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
179657 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/10.	4511020.cif
114664	2014-05-29	cif/ Adding structures of 4511020 via cif-deposit CGI script.	4511020.cif