Crystallography Open Database

Information card for entry 4111021

Preview

Structure parameters

Formula	C31 H28 O5
Calculated formula	C31 H28 O5
SMILES	OC(c1c(OC)cc2cccc(OC)c2c1)(c1cc2c(OC)cccc2cc1OC)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	7.675 ± 0.004 Å
b	12.605 ± 0.007 Å
c	12.914 ± 0.008 Å
α	86.49 ± 0.02°
β	81.01 ± 0.02°
γ	83.69 ± 0.03°
Cell volume	1225.3 ± 1.2 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	0.19
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4111021.html