Crystallography Open Database

Information card for entry 4100424

Preview

Coordinates	4100424.cif

Structure parameters

Formula	C30 H8 F10 O2 S4
Calculated formula	C30 H8 F10 O2 S4
SMILES	c1(c(c(c(c(c1F)F)F)F)F)C(=O)c1sc(cc1)c1sc(cc1)c1sc(c2sc(C(=O)c3c(c(c(c(c3F)F)F)F)F)cc2)cc1
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	53.617 ± 0.012 Å
b	7.403 ± 0.0017 Å
c	6.5735 ± 0.0015 Å
α	90°
β	94.259 ± 0.004°
γ	90°
Cell volume	2602 ± 1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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