Crystallography Open Database

Information card for entry 4111026

Preview

Coordinates	4111026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 O5
Calculated formula	C26 H24 O5
SMILES	OC(c1c(OC)cc2cccc(OC)c2c1)(c1c(O)cc(OC)cc1)c1ccccc1
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	2006
Journal volume	128
Pages of publication	14081 - 14092
a	9.504 ± 0.002 Å
b	10.972 ± 0.003 Å
c	11.785 ± 0.004 Å
α	66.744 ± 0.017°
β	90.325 ± 0.016°
γ	71.375 ± 0.018°
Cell volume	1057.6 ± 0.6 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.143
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.133
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
178881 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/10.	4111026.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111026.cif
60549	2012-06-15	cif/ Adding structures of 4111026 via cif-deposit CGI script.	4111026.cif