Crystallography Open Database

Information card for entry 1516656

Preview

Coordinates	1516656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H26 N4 O2
Calculated formula	C40 H26 N4 O2
SMILES	c1ccc(cc1)c1ccc(c(c1)c1nnc(o1)c1ccccc1)c1ccc(cc1c1nnc(o1)c1ccccc1)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	14.9947 ± 0.0003 Å
b	7.2016 ± 0.0001 Å
c	15.2457 ± 0.0003 Å
α	90°
β	113.94 ± 0.001°
γ	90°
Cell volume	1504.69 ± 0.05 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0682
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1251
Weighted residual factors for all reflections included in the refinement	0.1431
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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.	1516656.cif
117732	2014-06-15	cif/ Adding structures of 1516656 via cif-deposit CGI script.	1516656.cif