Crystallography Open Database

Information card for entry 1570470

Preview

Coordinates	1570470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H6 O4
Calculated formula	C5 H6 O4
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	9.5342 ± 0.0009 Å
b	6.5619 ± 0.0004 Å
c	9.7191 ± 0.001 Å
α	90°
β	115.851 ± 0.012°
γ	90°
Cell volume	547.2 ± 0.1 Å³
Cell temperature	179.99 ± 0.1 K
Ambient diffraction temperature	179.99 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.153
Weighted residual factors for all reflections included in the refinement	0.1626
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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