Crystallography Open Database

Information card for entry 4103212

Preview

Coordinates	4103212.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,2-Bis(2-methyl-5-(1-naphthyl)-3-thienyl)perfluorocyclopentene and perfluoronaphthalene
Formula	C55 H22 F22 S2
Calculated formula	C55 H22 F22 S2
Title of publication	A Diarylethene Cocrystal that Converts Light into Mechanical Work
Authors of publication	Masakazu Morimoto; Masahiro Irie
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	14172 - 14178
a	37.113 ± 0.006 Å
b	8.4961 ± 0.0015 Å
c	7.3282 ± 0.0013 Å
α	90°
β	95.987 ± 0.003°
γ	90°
Cell volume	2298.1 ± 0.7 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0551
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1413
Weighted residual factors for all reflections included in the refinement	0.1464
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
178778 (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 4/10/32.	4103212.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103212.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103212.cif
26170	2011-09-19	../uploads/cif-deposit/cod/cif Adding structures of 4103212 via cif-deposit CGI script.	4103212.cif