Crystallography Open Database

Information card for entry 4100580

Preview

Coordinates	4100580.cif

Structure parameters

Formula	C20 H10 F6 N2 S2
Calculated formula	C20 H10 F6 N2 S2
SMILES	c1(c2ccc(cc2)C(F)(F)F)sc(cn1)c1cnc(c2ccc(cc2)C(F)(F)F)s1
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	18.58 ± 0.02 Å
b	6.736 ± 0.005 Å
c	7.38 ± 0.007 Å
α	90°
β	104.7 ± 0.04°
γ	90°
Cell volume	893 ± 5 Å³
Cell temperature	453.2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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