Crystallography Open Database

Information card for entry 1515916

Preview

Coordinates	1515916.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,2-bis(2-isopropyl-5-phenyl-3-thienyl)perfluorocyclopentene
Chemical name	1,2-bis(2-isopropyl-5-phenyl-3-thienyl)perfluorocyclopentene
Formula	C31 H26 F6 S2
Calculated formula	C31 H26 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	21.307 ± 0.006 Å
b	12.193 ± 0.004 Å
c	10.669 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2771.8 ± 1.4 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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	0.0531
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	1515916.cif
112449	2014-05-01	cif/ Adding structures of 1515911, 1515912, 1515913, 1515914, 1515915, 1515916 via cif-deposit CGI script.	1515916.cif