Crystallography Open Database

Information card for entry 1514934

Preview

Coordinates	1514934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24
Calculated formula	C28 H24
SMILES	Cc1ccc(cc1)/C(=C(\c1ccc(cc1)C)c1ccccc1)c1ccccc1
Title of publication	Deciphering mechanism of aggregation-induced emission (AIE): Is E‒Z isomerisation involved in an AIE process?
Authors of publication	Tseng, Nai-Wen; Liu, Jianzhao; Ng, Jason C. Y.; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	2
Pages of publication	493
a	29.9106 ± 0.0003 Å
b	29.9106 ± 0.0003 Å
c	5.9714 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	4626.55 ± 0.1 Å³
Cell temperature	143.3 K
Ambient diffraction temperature	143 K
Number of distinct elements	2
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1339
Weighted residual factors for all reflections included in the refinement	0.1342
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1514934.cif
110821	2014-04-20	cif/ Adding structures of 1514934 via cif-deposit CGI script.	1514934.cif