Crystallography Open Database

Information card for entry 1502772

Preview

Coordinates	1502772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 N2 O S2
Calculated formula	C26 H20 N2 O S2
SMILES	s1c(C)ccc1c1c2nsnc2c(cc1)c1ccc(OCc2ccc(cc2)C=C)cc1
Title of publication	Benzothiadiazole-Containing Pendant Polymers Prepared by RAFT and Their Electro-Optical Properties
Authors of publication	Häussler, Matthias; Lok, Y. Phei; Chen, Ming; Jasieniak, Jacek; Adhikari, Raju; King, Simon P.; Haque, Saif A.; Forsyth, Craig M.; Winzenberg, Kevin; Watkins, Scott E.; Rizzardo, Ezio; Wilson, Gerard J.
Journal of publication	Macromolecules
Year of publication	2010
Journal volume	43
Journal issue	17
Pages of publication	7101
a	17.0896 ± 0.0004 Å
b	7.5023 ± 0.0001 Å
c	16.288 ± 0.0003 Å
α	90°
β	100.417 ± 0.001°
γ	90°
Cell volume	2053.89 ± 0.07 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
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	0.1042
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.1522
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	1502772.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502772.cif
36734	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502772 via cif-deposit CGI script.	1502772.cif