Crystallography Open Database

Information card for entry 1577234

Preview

Coordinates	1577234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H16 O5 S
Calculated formula	C11 H16 O5 S
Title of publication	Controlled Ring-Opening Polymerization of Xylose-derived Lactones towards Sustainable Polyesters
Authors of publication	Wang, Xiao-Yue; Wang, Wei; Wei, Wang-Long; Ren, Wei-Min; Lu, Xiaobing; Zhou, Hui
Journal of publication	Polymer Chemistry
Year of publication	2026
a	5.4154 ± 0.0005 Å
b	9.8915 ± 0.0008 Å
c	24.1538 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	1293.83 ± 0.19 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299.4 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0702
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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