Crystallography Open Database

Information card for entry 4101069

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Structure parameters

Formula	C38 H48 N4 S6
Calculated formula	C38 H48 N4 S6
SMILES	[nH]1c2C(c3[nH]c(C(c4[nH]c(C(c5[nH]c(C(c1c1c2sc(=C2/SC(=C(S2)SCCC)SCCC)/s1)(C)C)cc5)(C)C)cc4)(C)C)cc3)(C)C
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
a	10.1915 ± 0.0002 Å
b	10.947 ± 0.0003 Å
c	19.2157 ± 0.0006 Å
α	84.972 ± 0.002°
β	88.247 ± 0.002°
γ	64.993 ± 0.002°
Cell volume	1935.33 ± 0.09 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
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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