Crystallography Open Database

Information card for entry 7121145

Preview

Coordinates	7121145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H26 F2 N4 O2
Calculated formula	C44 H26 F2 N4 O2
SMILES	n1c(c2ccc(N3c4c(Oc5c3cccc5)cccc4)cc2)c(nc2c1cc(F)c(F)c2)c1ccc(N2c3c(Oc4c2cccc4)cccc3)cc1
Title of publication	An efficient exciton harvest route for high-performance OLEDs based on aggregation-induced delayed fluorescence.
Authors of publication	Yu, Ling; Wu, Zhongbin; Xie, Guohua; Zhong, Cheng; Zhu, Zece; Ma, Dongge; Yang, Chuluo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	11
Pages of publication	1379 - 1382
a	11.2482 ± 0.0006 Å
b	11.3076 ± 0.0006 Å
c	13.5181 ± 0.0007 Å
α	91.797 ± 0.001°
β	102.745 ± 0.001°
γ	101.04 ± 0.001°
Cell volume	1641.1 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0776
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1423
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
228589 (current)	2019-11-17	cif/ Updating files of 7121144, 7121145 Original log message: Adding full bibliography for 7121144--7121145.cif.	7121145.cif
205235	2018-01-16	cif/ Adding structures of 7121144, 7121145 via cif-deposit CGI script.	7121145.cif