Crystallography Open Database

Information card for entry 4024047

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Structure parameters

Formula	C26 H10 F8
Calculated formula	C26 H10 F8
SMILES	c1(c2c(c3ccccc3)c3c(F)c(F)c(c(c3c(c3ccccc3)c2c(F)c(c1F)F)F)F)F
Title of publication	9,10-Dichlorooctafluoroanthracene as a Building Block for n-Type Organic Semiconductors
Authors of publication	John F. Tannaci; Masahiro Noji; Jennifer McBee; T. Don Tilley
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	5567 - 5573
a	12.61 ± 0.003 Å
b	6.7441 ± 0.0019 Å
c	22.242 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1891.5 ± 0.9 Å³
Cell temperature	168 ± 2 K
Ambient diffraction temperature	168 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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