Crystallography Open Database

Information card for entry 4108099

Preview

Coordinates	4108099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 O4 S2
Calculated formula	C24 H22 O4 S2
SMILES	c1(ccc(c2cc(ccc2OC)OC)s1)c1ccc(c2cc(ccc2OC)OC)s1
Title of publication	Discrete Photopatternable π-Conjugated Oligomers for Electrochromic Devices
Authors of publication	Christian B. Nielsen; Alex Angerhofer; Khalil A. Abboud; John R. Reynolds
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	9734 - 9746
a	10.3264 ± 0.0009 Å
b	5.9833 ± 0.0005 Å
c	16.681 ± 0.0015 Å
α	90°
β	92.386 ± 0.002°
γ	90°
Cell volume	1029.76 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0478
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
178826 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/80.	4108099.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108099.cif
56435	2012-05-11	cif/ Adding structures of 4108099 via cif-deposit CGI script.	4108099.cif