Crystallography Open Database

Information card for entry 1515336

Preview

Coordinates	1515336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20
Calculated formula	C30 H20
SMILES	C#Cc1ccc(cc1)/C(=C(/c1ccc(cc1)C#C)c1ccccc1)c1ccccc1
Title of publication	Hyperbranched conjugated poly(tetraphenylethene): synthesis, aggregation-induced emission, fluorescent photopatterning, optical limiting and explosive detection
Authors of publication	Hu, Rongrong; Lam, Jacky W. Y.; Liu, Jianzhao; Sung, Herman H. Y.; Williams, Ian D.; Yue, Zhounan; Wong, Kam Sing; Yuen, Matthew M. F.; Tang, Ben Zhong
Journal of publication	Polymer Chemistry
Year of publication	2012
Journal volume	3
Journal issue	6
Pages of publication	1481
a	20.918 ± 0.014 Å
b	5.5926 ± 0.0018 Å
c	19.778 ± 0.009 Å
α	90°
β	107.11 ± 0.07°
γ	90°
Cell volume	2211 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	2
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1431
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1515336.cif
111138	2014-04-20	cif/ Adding structures of 1515335, 1515336 via cif-deposit CGI script.	1515336.cif