Crystallography Open Database

Information card for entry 4111022

Preview

Coordinates	4111022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H28 O5
Calculated formula	C31 H28 O5
SMILES	OC(c1c(OC)cc2cccc(OC)c2c1)(c1c(OC)ccc2c(OC)cccc12)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	9.743 ± 0.002 Å
b	16.188 ± 0.003 Å
c	15.137 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2387.4 ± 0.8 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	4111022.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111022.cif
60545	2012-06-15	cif/ Adding structures of 4111022 via cif-deposit CGI script.	4111022.cif