Crystallography Open Database

Information card for entry 1503813

Preview

Coordinates	1503813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H51 N
Calculated formula	C63 H51 N
SMILES	N12c3c4C(c5ccc(C)cc5)(c5ccc(cc5)C)c5cccc(C(c6ccc(C)cc6)(c6ccc(cc6)C)c6cccc(C(c7ccc(C)cc7)(c7ccc(cc7)C)c3ccc4)c26)c15
Title of publication	A fully diarylmethylene-bridged triphenylamine derivative as novel host for highly efficient green phosphorescent OLEDs.
Authors of publication	Jiang, Zuoquan; Chen, Yonghua; Yang, Chuluo; Cao, Yue; Tao, Youtian; Qin, Jingui; Ma, Dongge
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	7
Pages of publication	1503 - 1506
a	16.798 ± 0.003 Å
b	16.798 ± 0.003 Å
c	66.084 ± 0.017 Å
α	90°
β	90°
γ	120°
Cell volume	16149 ± 6 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1099
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1707
Weighted residual factors for all reflections included in the refinement	0.1907
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1503813.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503813.cif
39103	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503813 via cif-deposit CGI script.	1503813.cif