Crystallography Open Database

Information card for entry 7100185

Preview

Coordinates	7100185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H24 Cl4 F30 N6
Calculated formula	C70 H24 Cl4 F30 N6
SMILES	c1c2nc(=C(c3ccc(C(=c4n(c(=C(c5ccc(=C(c6ccc(C(=c7n(c(=C2c2c(F)c(c(c(c2F)F)F)F)cc7)C)c2c(F)c(F)c(F)c(F)c2F)[nH]6)c2c(F)c(F)c(F)c(F)c2F)n5)c2c(c(c(c(c2F)F)F)F)F)cc4)C)c2c(F)c(F)c(F)c(F)c2F)[nH]3)c2c(F)c(F)c(F)c(F)c2F)c1.C(Cl)Cl.C(Cl)Cl
Journal of publication	Chemical Communications
Year of publication	2005
a	34.11 ± 0.05 Å
b	6.491 ± 0.009 Å
c	14.94 ± 0.03 Å
α	90°
β	106.88 ± 0.06°
γ	90°
Cell volume	3165 ± 8 Å³
Cell temperature	123.1 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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