Crystallography Open Database

Information card for entry 7225718

Preview

Coordinates	7225718.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	10-(9-Ethyl-9H-carbazol-3-yl)-10H-phenothiazine
Formula	C26 H20 N2 S
Calculated formula	C26 H20 N2 S
SMILES	S1c2c(N(c3ccc4n(c5c(c4c3)cccc5)CC)c3c1cccc3)cccc2
Title of publication	Green and red phosphorescent organic light-emitting diodes with ambipolar hosts based on phenothiazine and carbazole moieties: photoelectrical properties, morphology and efficiency
Authors of publication	Bagdžiūnas, Gintautas; Grybauskaitė, Gintarė; Kostiv, Nataliya; Ivaniuk, Khrystyna; Volyniuk, Dmytro; Lazauskas, Algirdas
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	66
Pages of publication	61544
a	9.511 ± 0.011 Å
b	10.365 ± 0.01 Å
c	11.708 ± 0.014 Å
α	75.35 ± 0.04°
β	88.08 ± 0.05°
γ	64.4 ± 0.04°
Cell volume	1003 ± 2 Å³
Cell temperature	273 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.2799
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
184011 (current)	2016-06-28	cif/ Adding structures of 7225717, 7225718 via cif-deposit CGI script.	7225718.cif