Crystallography Open Database

Information card for entry 7234262

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Coordinates	7234262.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PBIPO
Chemical name	Diphenyl(4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenyl)phosphine oxide
Formula	C20 H10 Cl0.5 N2 O P S0.5
Calculated formula	C32 H27 Cl2 N2 O2 P
SMILES	c1ccccc1c1n(c2c(cccc2)n1)c1ccc(cc1)P(=O)(c1ccccc1)c1ccccc1.C(Cl)Cl.O
Title of publication	Phosphine oxide-jointed electron transporters for the reduction of interfacial quenching in highly efficient blue PHOLEDs
Authors of publication	Wenjing Kan; Liping Zhu; Ying Wei; Dongge Ma; Mingzhi Sun; Zhongbin Wu; Wei Huang; Hui Xu
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	5430 - 5439
a	10.8937 ± 0.0008 Å
b	12.4951 ± 0.001 Å
c	13.103 ± 0.0008 Å
α	115.982 ± 0.007°
β	111.79 ± 0.006°
γ	91.787 ± 0.006°
Cell volume	1448.1 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1043
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.2211
Weighted residual factors for all reflections included in the refinement	0.2436
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
218958 (current)	2019-10-01	cif/ Adding structures of 7234262 via cif-deposit CGI script.	7234262.cif