Crystallography Open Database

Information card for entry 1513352

Preview

Coordinates	1513352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H18 O4
Calculated formula	C10 H18 O4
SMILES	O1C2(OC[C@H](O)[C@@H](O)C1)CCCCC2.O1C2(OC[C@@H](O)[C@H](O)C1)CCCCC2
Title of publication	Stereospecific CO2Copolymers from 3,5-Dioxaepoxides: Crystallization and Functionallization
Authors of publication	Liu, Ye; Wang, Meng; Ren, Wei-Min; He, Ke-Ke; Xu, Yue-Chao; Liu, Jie; Lu, Xiao-Bing
Journal of publication	Macromolecules
Year of publication	2014
Journal volume	47
Journal issue	4
Pages of publication	1269
a	17.8563 ± 0.0018 Å
b	6.4916 ± 0.0008 Å
c	8.8522 ± 0.0012 Å
α	90°
β	98.862 ± 0.007°
γ	90°
Cell volume	1013.9 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0683
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.155
Weighted residual factors for all reflections included in the refinement	0.1596
Goodness-of-fit parameter for all reflections included in the refinement	1.182
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513352.cif
104084	2014-03-10	cif/ Adding structures of 1513352 via cif-deposit CGI script.	1513352.cif