Crystallography Open Database

Information card for entry 4119262

4119261 << 4119262 >> 4119263

Preview

Coordinates	4119262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H33 F N2 S3
Calculated formula	C26 H33 F N2 S3
Title of publication	Fluorine Substituents Reduce Charge Recombination and Drive Structure and Morphology Development in Polymer Solar Cells
Authors of publication	Andrew C. Stuart; John R. Tumbleston; Huaxing Zhou; Wentao Li; Shubin Liu; Harald Ade; Wei You
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	1806 - 1815
a	37.236 ± 0.002 Å
b	5.115 ± 0.0005 Å
c	27.5448 ± 0.0018 Å
α	90°
β	113.622 ± 0.004°
γ	90°
Cell volume	4806.7 ± 0.6 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.131
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1429
Weighted residual factors for all reflections included in the refinement	0.1734
Goodness-of-fit parameter for all reflections included in the refinement	0.948
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178963 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/92.	4119262.cif
103398	2014-03-04	cif/ Adding structures of 4119262 via cif-deposit CGI script.	4119262.cif