Crystallography Open Database

Information card for entry 4023779

Preview

Coordinates	4023779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H14 F8 O2
Calculated formula	C28 H14 F8 O2
SMILES	c12c(c(c(c(c1c(c1c(c(c(c(c1c2c1ccc(OC)cc1)F)F)F)F)c1ccc(OC)cc1)F)F)F)F
Title of publication	9,10-Disubstituted Octafluoroanthracene Derivatives via Palladium-Catalyzed Cross-Coupling
Authors of publication	John F. Tannaci; Masahiro Noji; Jennifer L. McBee; T. Don Tilley
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	7895 - 7900
a	13.068 ± 0.011 Å
b	9.569 ± 0.008 Å
c	8.832 ± 0.007 Å
α	90°
β	96.246 ± 0.015°
γ	90°
Cell volume	1097.9 ± 1.5 Å³
Cell temperature	165 ± 2 K
Ambient diffraction temperature	165 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1003
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1464
Weighted residual factors for all reflections included in the refinement	0.1556
Goodness-of-fit parameter for all reflections included in the refinement	0.928
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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