Crystallography Open Database

Information card for entry 4000646

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Structure parameters

Formula	C24 H30 Br2 N2 S2
Calculated formula	C24 H30 Br2 N2 S2
SMILES	Brc1sc(c(c1)CCCCCC)c1nnc(cc1)c1sc(Br)cc1CCCCCC
Journal of publication	Chemistry of Materials
Year of publication	2005
a	9.22 ± 0.003 Å
b	11.433 ± 0.003 Å
c	11.776 ± 0.003 Å
α	79.169 ± 0.005°
β	86.376 ± 0.007°
γ	90.256 ± 0.008°
Cell volume	1216.6 ± 0.6 Å³
Cell temperature	113.1 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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