Crystallography Open Database

Information card for entry 7222112

Preview

Coordinates	7222112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 O6
Calculated formula	C19 H20 O6
SMILES	o1cccc1/C=C/C(=O)OCCCCCOC(=O)/C=C/c1occc1
Title of publication	Linear polyester synthesized from furfural-based monomer by photoreaction in sunlight
Authors of publication	Wang, Zhihan; Kastern, Brent; Randazzo, Katelyn; Ugrinov, Angel; Butz, Jonathan; Seals, David W.; Sibi, Mukund P.; Chu, Qianli R.
Journal of publication	Green Chem.
Year of publication	2015
Journal volume	17
Journal issue	10
Pages of publication	4720
a	23.0884 ± 0.0007 Å
b	10.4956 ± 0.0004 Å
c	7.3329 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1776.96 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
161996 (current)	2015-10-09	cif/ Updating files of 7222112, 7222113 Original log message: Adding full bibliography for 7222112--7222113.cif.	7222112.cif
155885	2015-09-12	cif/ Adding structures of 7222112, 7222113 via cif-deposit CGI script.	7222112.cif