Crystallography Open Database

Information card for entry 4115549

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Coordinates	4115549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 F14 S6
Calculated formula	C24 F14 S6
SMILES	c1(c(c(c(s1)c1c(c(c(c2sc(c(F)c2F)c2sc(c3c(c(c(c4c(c(c(F)s4)F)F)s3)F)F)c(F)c2F)s1)F)F)F)F)F
Title of publication	Tetradecafluorosexithiophene: The First Perfluorinated Oligothiophene
Authors of publication	Youichi Sakamoto; Shingo Komatsu; Toshiyasu Suzuki
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	4643 - 4644
a	18.549 ± 0.006 Å
b	5.323 ± 0.002 Å
c	13.214 ± 0.004 Å
α	90°
β	108.631 ± 0.005°
γ	90°
Cell volume	1236.3 ± 0.7 Å³
Cell temperature	288.2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.1729
Goodness-of-fit parameter for all reflections included in the refinement	0.892
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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