Crystallography Open Database

Information card for entry 4101042

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Coordinates	4101042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H14 Br2 F6 N2
Calculated formula	C27 H14 Br2 F6 N2
SMILES	Brc1c(c(cc(c1)c1ccccc1)C(F)(F)F)C(=N#N)c1c(Br)cc(cc1C(F)(F)F)c1ccccc1
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
a	8.62 ± 0.01 Å
b	10.52 ± 0.01 Å
c	14.17 ± 0.02 Å
α	74.53 ± 0.06°
β	71.8 ± 0.06°
γ	87.47 ± 0.06°
Cell volume	1174 ± 3 Å³
Cell temperature	123.1 K
Number of distinct elements	5
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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