Crystallography Open Database

Information card for entry 1504365

Preview

Coordinates	1504365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H34 N2 O
Calculated formula	C49 H34 N2 O
SMILES	c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1cc2c(cc1)c1c(C2=O)cc(cc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1
Title of publication	Aggregation-Induced Emissions of Fluorenonearylamine Derivatives: A New Kind of Materials for Nondoped Red Organic Light-Emitting Diodes
Authors of publication	Liu, Y.; Tao, X.; Wang, F.; Dang, X.; Zou, D.; Ren, Y.; Jiang, M.
Journal of publication	Journal of Physical Chemistry C
Year of publication	2008
Journal volume	112
Journal issue	10
Pages of publication	3975
a	15.8751 ± 0.0008 Å
b	12.3295 ± 0.0007 Å
c	42.907 ± 0.002 Å
α	90°
β	93.705 ± 0.002°
γ	90°
Cell volume	8380.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2816
Residual factor for significantly intense reflections	0.1602
Weighted residual factors for significantly intense reflections	0.4234
Weighted residual factors for all reflections included in the refinement	0.4811
Goodness-of-fit parameter for all reflections included in the refinement	1.366
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.	1504365.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504365.cif
41989	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504365 via cif-deposit CGI script.	1504365.cif