Crystallography Open Database

Information card for entry 7052673

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Structure parameters

Formula	C29 H22 N2
Calculated formula	C29 H22 N2
SMILES	n1(c2c3c(c4c(c2nc1c1ccc(C)cc1)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	13.726 ± 0.003 Å
b	8.4643 ± 0.0017 Å
c	19.367 ± 0.004 Å
α	90°
β	109.14 ± 0.03°
γ	90°
Cell volume	2125.7 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.1475
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.191
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
202017 (current)	2017-10-14	cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	7052673.cif
180080	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.	7052673.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052673.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052673.cif
23722	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7052671, 7052672, 7052673 via cif-deposit CGI script.	7052673.cif