Crystallography Open Database

Information card for entry 7053052

Preview

Coordinates	7053052.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 O4
Calculated formula	C30 H28 O4
SMILES	COc1ccc(cc1)C(=C(c1ccc(cc1)OC)c1ccc(OC)cc1)c1ccc(OC)cc1
Title of publication	Switching the emission of tetrakis(4-methoxyphenyl)ethylene among three colors in the solid state
Authors of publication	Li, Chenyu; Luo, Xiaoliang; Zhao, Weijun; Li, Cuihong; Liu, Zhengping; Bo, Zhishan; Dong, Yuping; Dong, Yong Qiang; Tang, Ben Zhong
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	6
Pages of publication	1696
a	19.586 ± 0.002 Å
b	5.6198 ± 0.0007 Å
c	13.7767 ± 0.0016 Å
α	90°
β	125.672 ± 0.002°
γ	90°
Cell volume	1231.9 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0863
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180084 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/30.	7053052.cif
87068	2013-07-13	cif/ Adding structures of 7053052 via cif-deposit CGI script.	7053052.cif