Crystallography Open Database

Information card for entry 1512559

Preview

Coordinates	1512559.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cyclopentene trithiocarbonate
Formula	C6 H8 S3
Calculated formula	C6 H8 S3
Title of publication	Oxygen/Sulfur Scrambling During the Copolymerization of Cyclopentene Oxide and Carbon Disulfide: Selectivity for Copolymer vs Cyclic [Thio]carbonates
Authors of publication	Darensbourg, Donald J.; Wilson, Stephanie J.; Yeung, Andrew D.
Journal of publication	Macromolecules
Year of publication	2013
Journal volume	46
Journal issue	20
Pages of publication	8102
a	13.053 ± 0.003 Å
b	9.571 ± 0.002 Å
c	6.0856 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	760.3 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0718
Weighted residual factors for all reflections included in the refinement	0.0727
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1512559.cif
89697	2013-11-10	cif/ Adding structures of 1512559 via cif-deposit CGI script.	1512559.cif