Crystallography Open Database

Information card for entry 7100184

Preview

Coordinates	7100184.cif
Original paper (by DOI)	HTML

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

Version history

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