Crystallography Open Database

Information card for entry 7237338

Preview

Coordinates	7237338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C160 H112 Cl8 N20 O4 P4
Calculated formula	C160 H112 Cl8 N20 O4 P4
Title of publication	A ternary phosphine oxide host featuring thermally activated delayed fluorescence for blue PHOLEDs with >20% EQE and extremely low roll-offs
Authors of publication	Li, Chenyu; Fan, Xuefeng; Han, Chunmiao; Xu, Hui
Journal of publication	Journal of Materials Chemistry C
Year of publication	2018
Journal volume	6
Journal issue	25
Pages of publication	6747
a	18.7793 ± 0.0007 Å
b	8.0735 ± 0.0002 Å
c	26.4549 ± 0.0011 Å
α	90°
β	122.492 ± 0.003°
γ	90°
Cell volume	3383.1 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
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	0.0773
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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