Crystallography Open Database

Information card for entry 4000647

Preview

Coordinates	4000647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 F2 S2
Calculated formula	C26 H32 F2 S2
SMILES	CCCCCCc1csc(c1)c1cc(F)c(cc1F)c1scc(c1)CCCCCC
Journal of publication	Chemistry of Materials
Year of publication	2005
a	4.7658 ± 0.0009 Å
b	8.318 ± 0.004 Å
c	15.109 ± 0.007 Å
α	80.49 ± 0.03°
β	82.94 ± 0.03°
γ	76.76 ± 0.02°
Cell volume	572.8 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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