Crystallography Open Database

Information card for entry 1554240

Preview

Coordinates	1554240.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	POZ-BT-CN
Chemical name	POZ-BT-CN
Formula	C25 H14 N4 O S
Calculated formula	C25 H14 N4 O S
SMILES	c12c(ccc(c1nsn2)c1ccc2c(c1)Oc1c(N2c2ccccc2)cccc1)C#N
Title of publication	The roles of thermally activated delayed fluorescence sensitizers for efficient red fluorescent organic light-emitting diodes with D‒A‒A type emitters
Authors of publication	Wang, Ya-Kun; Huang, Chen-Chao; Kumar, Sarvendra; Wu, Sheng-Fan; Yuan, Yi; Aziz Khan, Aziz Khan; Jiang, Zuo-Quan; Fung, Man-Keung; Liao, Liang-Sheng
Journal of publication	Materials Chemistry Frontiers
Year of publication	2019
Journal volume	3
Journal issue	1
Pages of publication	161
a	17.804 ± 0.002 Å
b	9.217 ± 0.0011 Å
c	12.5258 ± 0.0017 Å
α	90°
β	107.795 ± 0.004°
γ	90°
Cell volume	1957.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0605
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
237053 (current)	2019-11-24	cif/ Adding structures of 1554240, 1554241 via cif-deposit CGI script.	1554240.cif