Crystallography Open Database

Information card for entry 7234456

Preview

Coordinates	7234456.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H30 N3 O P
Calculated formula	C43 H30 N3 O P
SMILES	P(=O)(c1ccc(n2c(nc3c2cccc3)c2cc3c(n(c4ccccc4)c4c3cccc4)cc2)cc1)(c1ccccc1)c1ccccc1
Title of publication	Ternary donor-acceptor phosphine oxide hosts with peculiar high energy gap for efficient blue electroluminescence
Authors of publication	Mingzhi Sun; Liping Zhu; Wenjing Kan; Ying Wei; Dongge Ma; Xuefeng Fan; Wei Huang; Hui Xu
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	9469 - 9478
a	45.0597 ± 0.0017 Å
b	45.0597 ± 0.0017 Å
c	9.1311 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	16055.7 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0818
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.172
Weighted residual factors for all reflections included in the refinement	0.1882
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
297561 (current)	2025-02-01	cif/7 Fixing Z values and formulae	7234456.cif
219154	2019-10-08	cif/ Adding structures of 7234456 via cif-deposit CGI script.	7234456.cif