Crystallography Open Database

Information card for entry 4101239

Preview

Coordinates	4101239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H18 F10 O8
Calculated formula	C40 H18 F10 O8
SMILES	c1ccccc1C(=O)OCC#CC#CCOC(=O)c1ccccc1.Fc1c(F)c(F)c(F)c(F)c1C(=O)OCC#CC#CCOC(=O)c1c(F)c(F)c(F)c(F)c1F
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
a	5.9825 ± 0.0007 Å
b	7.5763 ± 0.001 Å
c	19.295 ± 0.002 Å
α	96.91 ± 0.01°
β	91.736 ± 0.009°
γ	93.071 ± 0.01°
Cell volume	866.37 ± 0.18 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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

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