Crystallography Open Database

Information card for entry 7052671

Preview

Coordinates	7052671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 N2
Calculated formula	C28 H20 N2
SMILES	n1(c2c3c(c4c(c2nc1c1ccccc1)cccc4)cccc3)c1ccc(cc1)C
Title of publication	Phenanthroimidazole-derivative semiconductors as functional layer in high performance OLEDs
Authors of publication	Yuan, Yang; Li, Di; Zhang, Xueqiang; Zhao, Xingjia; Liu, Yu; Zhang, Jingying; Wang, Yue
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	7
Pages of publication	1534
a	9.776 ± 0.002 Å
b	12.364 ± 0.003 Å
c	18.48 ± 0.004 Å
α	73.75 ± 0.03°
β	80.53 ± 0.03°
γ	76.89 ± 0.03°
Cell volume	2076.3 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0776
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1234
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
180080 (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 7/05/26.	7052671.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052671.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052671.cif
23722	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7052671, 7052672, 7052673 via cif-deposit CGI script.	7052671.cif