Crystallography Open Database

Information card for entry 4109037

Preview

Coordinates	4109037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.5 H16 O3.5
Calculated formula	C23.5 H14 O3.5
Title of publication	An Organic White Light-Emitting Fluorophore
Authors of publication	Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	1008 - 1008
a	5.876 ± 0.004 Å
b	20.129 ± 0.015 Å
c	14.512 ± 0.013 Å
α	90°
β	100.05 ± 0.03°
γ	90°
Cell volume	1690 ± 2 Å³
Cell temperature	115 K
Ambient diffraction temperature	115 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.198
Residual factor for significantly intense reflections	0.082
Weighted residual factors for significantly intense reflections	0.146
Weighted residual factors for all reflections included in the refinement	0.186
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109037.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4109037.cif
57788	2012-05-21	cif/ Adding structures of 4109037 via cif-deposit CGI script.	4109037.cif