Crystallography Open Database

Information card for entry 4111023

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Structure parameters

Formula	C32 H26 O6
Calculated formula	C32 H26 O6
SMILES	O1C(c2c(OC)cc3cccc(OC)c3c2)(c2c(OC)cc3cccc(OC)c3c2)c2ccccc2C1=O
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	7.859 ± 0.006 Å
b	11.146 ± 0.007 Å
c	14.964 ± 0.015 Å
α	81.92 ± 0.03°
β	85.92 ± 0.03°
γ	72.84 ± 0.05°
Cell volume	1239.4 ± 1.8 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	0.36
Residual factor for significantly intense reflections	0.12
Weighted residual factors for significantly intense reflections	0.265
Weighted residual factors for all reflections included in the refinement	0.377
Goodness-of-fit parameter for all reflections included in the refinement	0.951
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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