Crystallography Open Database

Information card for entry 1518280

Preview

Coordinates	1518280.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3,6-dipropargyloxymethyl-1,4-dioxane-2,5-dione
Formula	C12 H12 O6
Calculated formula	C6 H6 O3
Title of publication	Synthesis and click chemistry of a new class of biodegradable polylactide towards tunable thermo-responsive biomaterials.
Authors of publication	Zhang, Quanxuan; Ren, Hong; Baker, Gregory L.
Journal of publication	Polymer chemistry
Year of publication	2015
Journal volume	6
Journal issue	8
Pages of publication	1275 - 1285
a	7.6482 ± 0.0012 Å
b	7.4766 ± 0.0011 Å
c	10.4304 ± 0.0016 Å
α	90°
β	102.535 ± 0.006°
γ	90°
Cell volume	582.22 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 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	0.0397
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0991
Goodness-of-fit parameter for all reflections included in the refinement	1.269
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1518280.cif
133569	2015-03-06	cif/ Updating files of 1518280 Original log message: Adding full bibliography for 1518280.cif.	1518280.cif
127556	2014-11-20	cif/ Adding structures of 1518280 via cif-deposit CGI script.	1518280.cif