Crystallography Open Database

Information card for entry 7233644

Preview

Coordinates	7233644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H32 N4 O
Calculated formula	C50 H32 N4 O
SMILES	o1c(nnc1c1c(cccc1)c1ccc(n2c3ccccc3c3ccccc23)cc1)c1c(cccc1)c1ccc(n2c3ccccc3c3ccccc23)cc1
Title of publication	Oxadiazole based bipolar host materials employing planarized triarylamine donors for RGB PHOLEDs with low efficiency roll-off
Authors of publication	Paul Kautny; Daniel Lumpi; Yanping Wang; Antoine Tissot; Johannes Bintinger; Ernst Horkel; Berthold Stoger; Christian Hametner; Hans Hagemann; Dongge Ma; Johannes Fröhlich
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	2069 - 2081
a	17.9874 ± 0.0004 Å
b	9.2989 ± 0.0008 Å
c	21.5822 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3609.9 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0439
Weighted residual factors for all reflections included in the refinement	0.0444
Goodness-of-fit parameter for significantly intense reflections	2.67
Goodness-of-fit parameter for all reflections included in the refinement	2.52
Diffraction radiation probe	x-ray
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
217973 (current)	2019-09-04	cif/ Adding structures of 7233644 via cif-deposit CGI script.	7233644.cif