Crystallography Open Database

Information card for entry 1515922

Preview

Coordinates	1515922.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,2-Bis(2-(9-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene
Chemical name	1,2-Bis(2-(9-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene
Formula	C45 H30 F6 S2
Calculated formula	C45 H30 F6 S2
Title of publication	Photochromism of dithienylethene single crystals having anthracene substituents.
Authors of publication	Ohara, Hiroki; Morimoto, Masakazu; Irie, Masahiro
Journal of publication	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
Year of publication	2010
Journal volume	9
Journal issue	8
Pages of publication	1079 - 1081
a	26.732 ± 0.002 Å
b	8.0585 ± 0.0007 Å
c	16.3195 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3515.5 ± 0.5 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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.	1515922.cif
112454	2014-05-01	cif/ Adding structures of 1515922, 1515923, 1515924 via cif-deposit CGI script.	1515922.cif