Crystallography Open Database

Information card for entry 1570473

Preview

Coordinates	1570473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 O5
Calculated formula	C12 H14 O5
SMILES	O(Cc1ccccc1)C(=O)[C@H]1OC[C@@H](O)CO1
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	11.1805 ± 0.0001 Å
b	9.2464 ± 0.0001 Å
c	11.1482 ± 0.0001 Å
α	90°
β	105.801 ± 0.001°
γ	90°
Cell volume	1108.94 ± 0.019 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	1570473.cif
287915	2023-12-01	cif/ Adding structures of 1570470, 1570471, 1570472, 1570473, 1570474 via cif-deposit CGI script.	1570473.cif