Crystallography Open Database

Information card for entry 7212927

Preview

Coordinates	7212927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H38 O4
Calculated formula	C50 H38 O4
SMILES	c1ccc2ccccc2c1c1ccc(cc1)c1c2c(c(c3ccc(c4cccc5ccccc45)cc3)c3c1cc(OC)c(OC)c3)cc(OC)c(OC)c2
Title of publication	High performance organic light-emitting diodes based on tetra(methoxy)-containing anthracene derivatives as a hole transport and electron-blocking layer
Authors of publication	Xia, Zhen-Yuan; Su, Jian-Hua; Wong, Wai-Yeung; Wang, Lei; Cheah, Kok-Wai; Tian, He; Chen, Chin H.
Journal of publication	Journal of Materials Chemistry
Year of publication	2010
Journal volume	20
Journal issue	38
Pages of publication	8382
a	9.3331 ± 0.0011 Å
b	10.1235 ± 0.0012 Å
c	10.4203 ± 0.0012 Å
α	70.577 ± 0.002°
β	74.534 ± 0.002°
γ	88.29 ± 0.002°
Cell volume	893.02 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0601
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1204
Weighted residual factors for all reflections included in the refinement	0.133
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
180460 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/29.	7212927.cif
93677	2014-01-13	cif/ Adding structures of 7212927, 7212928 via cif-deposit CGI script.	7212927.cif