Crystallography Open Database

Information card for entry 7100184

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Structure parameters

Formula	C70 H20 Cl6 F30 N6
Calculated formula	C70 H20 Cl6 F30 N6
SMILES	ClC(Cl)Cl.ClC(Cl)Cl.Fc1c(C2=C3N(C(C=C3)=C(C3=NC(=C(C4=NC(=C(C5N(C(C(=C6N=C(C(=C7N=C2C=C7)c2c(F)c(F)c(F)c(F)c2F)C=C6)c2c(F)c(F)c(F)c(F)c2F)=CC=5)C)c2c(F)c(F)c(F)c(F)c2F)C=C4)c2c(F)c(F)c(F)c(F)c2F)C=C3)c2c(F)c(F)c(F)c(F)c2F)C)c(F)c(F)c(F)c1F
Journal of publication	Chemical Communications
Year of publication	2005
a	13.731 ± 0.008 Å
b	20.42 ± 0.01 Å
c	22.93 ± 0.01 Å
α	90°
β	90.13 ± 0.05°
γ	90°
Cell volume	6429 ± 6 Å³
Cell temperature	123.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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