Crystallography Open Database

Information card for entry 1516657

Preview

Coordinates	1516657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H18 N4 O2
Calculated formula	C28 H18 N4 O2
SMILES	c1ccc(cc1)c1nnc(o1)c1ccccc1c1ccccc1c1nnc(o1)c1ccccc1
Title of publication	The unusual electrochemical and photophysical behavior of 2,2'-bis(1,3,4-oxadiazol-2-yl)biphenyls, effective electron transport hosts for phosphorescent organic light emitting diodes.
Authors of publication	Leung, Man-kit; Yang, Chih-Chiang; Lee, Jiun-Haw; Tsai, Hsin-Hung; Lin, Chi-Feng; Huang, Chih-Yen; Su, Yuhlong Oliver; Chiu, Chi-Feng
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	2
Pages of publication	235 - 238
a	11.3862 ± 0.0005 Å
b	10.0904 ± 0.0006 Å
c	18.8335 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2163.81 ± 0.19 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1237
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1648
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
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.	1516657.cif
117733	2014-06-15	cif/ Adding structures of 1516657 via cif-deposit CGI script.	1516657.cif