Crystallography Open Database

Information card for entry 1515335

Preview

Coordinates	1515335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20
Calculated formula	C30 H20
SMILES	C(=C(\c1ccc(cc1)C#C)c1ccccc1)(\c1ccc(cc1)C#C)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	9.3233 ± 0.0001 Å
b	14.8844 ± 0.0002 Å
c	15.9251 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2209.95 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	2
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0276
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	1515335.cif
111138	2014-04-20	cif/ Adding structures of 1515335, 1515336 via cif-deposit CGI script.	1515335.cif