Crystallography Open Database

Information card for entry 1562422

Preview

Coordinates	1562422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H27 N O2
Calculated formula	C35 H27 N O2
SMILES	O1c2c(c(cc(c3ccc(N4c5c(C(c6c4cccc6)(C)C)cccc5)cc3)c2)C)C(=O)c2c1cccc2
Title of publication	A methyl-shield strategy enables efficient blue thermally activated delayed fluorescence hosts for high-performance fluorescent OLEDs
Authors of publication	Ran, You; Yang, Ge; Liu, Yang; Han, Weiguo; Gao, Ge; Su, Rongchuan; Bin, Zhengyang; You, Jingsong
Journal of publication	Materials Horizons
Year of publication	2021
Journal volume	8
Journal issue	7
Pages of publication	2025 - 2031
a	9.2312 ± 0.0005 Å
b	10.2169 ± 0.0007 Å
c	14.6844 ± 0.0008 Å
α	76.439 ± 0.005°
β	87.971 ± 0.005°
γ	67.26 ± 0.006°
Cell volume	1239.33 ± 0.14 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 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 all reflections	0.0696
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1517
Weighted residual factors for all reflections included in the refinement	0.1664
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268969 (current)	2021-09-06	cif/ Updating files of 1562419, 1562420, 1562421, 1562422 Original log message: Adding full bibliography for 1562419--1562422.cif.	1562422.cif
265037	2021-05-07	cif/ Adding structures of 1562419, 1562420, 1562421, 1562422 via cif-deposit CGI script.	1562422.cif