Crystallography Open Database

Information card for entry 4111024

Preview

Coordinates	4111024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H26 O5
Calculated formula	C27 H26 O5
SMILES	OC(c1c(OC)ccc2c(OC)cccc12)(c1c(OC)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	8.6597 ± 0.0015 Å
b	11.155 ± 0.002 Å
c	11.818 ± 0.003 Å
α	100.03 ± 0.01°
β	99.201 ± 0.013°
γ	97.783 ± 0.013°
Cell volume	1093.9 ± 0.4 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	0.096
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	4111024.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111024.cif
60547	2012-06-15	cif/ Adding structures of 4111024 via cif-deposit CGI script.	4111024.cif