Crystallography Open Database

Information card for entry 1515911

Preview

Coordinates	1515911.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene
Chemical name	1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene
Formula	C29 H22 F6 S2
Calculated formula	C29 H22 F6 S2
Title of publication	Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing.
Authors of publication	Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; 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	2
Pages of publication	221 - 225
a	22.339 ± 0.005 Å
b	10.971 ± 0.003 Å
c	10.585 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2594.2 ± 1.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.2024
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	0.916
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.	1515911.cif
112449	2014-05-01	cif/ Adding structures of 1515911, 1515912, 1515913, 1515914, 1515915, 1515916 via cif-deposit CGI script.	1515911.cif