Crystallography Open Database

Information card for entry 1518550

Preview

Coordinates	1518550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 O5
Calculated formula	C20 H18 O5
SMILES	O1C(Cc2ccccc2)(C(=C(O)C1=O)c1ccccc1)C(=O)OCC
Title of publication	Ring-opening polymerization of a 2,3-disubstituted oxirane leading to a polyether having a carbonyl‒aromatic π-stacked structure
Authors of publication	Merlani, Maia; Koyama, Yasuhito; Sato, Hiroyasu; Geng, Li; Barbakadze, Vakhtang; Chankvetadze, Bezhan; Nakano, Tamaki
Journal of publication	Polym. Chem.
Year of publication	2015
Journal volume	6
Journal issue	11
Pages of publication	1932
a	9.6559 ± 0.0003 Å
b	9.9869 ± 0.0003 Å
c	18.8822 ± 0.0005 Å
α	84.288 ± 0.006°
β	81.394 ± 0.006°
γ	73.131 ± 0.005°
Cell volume	1719.86 ± 0.1 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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 significantly intense reflections	0.0522
Weighted residual factors for all reflections included in the refinement	0.1585
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518550.cif
133568	2015-03-06	cif/ Updating files of 1518549, 1518550 Original log message: Adding full bibliography for 1518549--1518550.cif.	1518550.cif
129714	2015-01-17	cif/ Adding structures of 1518549, 1518550 via cif-deposit CGI script.	1518550.cif