Crystallography Open Database

Information card for entry 1515466

Preview

Coordinates	1515466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H28
Calculated formula	C40 H28
SMILES	c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccc(cc1)c1cc2ccccc2c2c1cccc2
Title of publication	Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity
Authors of publication	Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	4
Pages of publication	672
a	17.2911 ± 0.001 Å
b	9.0613 ± 0.0005 Å
c	18.1015 ± 0.001 Å
α	90°
β	94.72 ± 0.006°
γ	90°
Cell volume	2826.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1703
Residual factor for significantly intense reflections	0.0785
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1515466.cif
111820	2014-04-28	cif/ Adding structures of 1515464, 1515465, 1515466, 1515467, 1515468, 1515469 via cif-deposit CGI script.	1515466.cif