Crystallography Open Database

Information card for entry 4100360

Preview

Structure parameters

Formula	C42 H32 Cl3 F3 N2 O3 S
Calculated formula	C42 H32 Cl3 F3 N2 O3 S
SMILES	ClC(Cl)Cl.S(=O)(=O)([O-])C(F)(F)F.N1(c2c(C(c3ccc4c5c(ccc(c35)c3c5ccccc5[n+](c5ccccc35)C)CC4)c3c1cccc3)cccc2)C
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	8.208 ± 0.002 Å
b	14.152 ± 0.004 Å
c	16.716 ± 0.005 Å
α	109.75 ± 0.005°
β	97.638 ± 0.005°
γ	90.402 ± 0.003°
Cell volume	1808.4 ± 0.9 Å³
Cell temperature	103.1 K
Number of distinct elements	7
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4100360.html