Crystallography Open Database

Information card for entry 1570471

Preview

Coordinates	1570471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H8 O4
Calculated formula	C6 H8 O4
SMILES	O=C1OC2COC1(OC2)C
Title of publication	High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one
Authors of publication	Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen
Journal of publication	Polymer Chemistry
Year of publication	2024
Journal volume	15
Journal issue	3
Pages of publication	156 - 165
a	6.6336 ± 0.0003 Å
b	10.5499 ± 0.0006 Å
c	18.8351 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1318.15 ± 0.14 Å³
Cell temperature	180 ± 0.1 K
Ambient diffraction temperature	180 ± 0.1 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
289650 (current)	2024-02-04	cif/ Updating files of 1570470, 1570471, 1570472, 1570473, 1570474 Original log message: Adding full bibliography for 1570470--1570474.cif.	1570471.cif
287915	2023-12-01	cif/ Adding structures of 1570470, 1570471, 1570472, 1570473, 1570474 via cif-deposit CGI script.	1570471.cif