Crystallography Open Database

Information card for entry 4061628

Preview

Coordinates	4061628.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 N4 S2
Calculated formula	C18 H30 N4 S2
SMILES	c1(nc(cn1C)C(C)(C)C)SCCSc1n(cc(C(C)(C)C)n1)C
Journal of publication	Organometallics
Year of publication	2005
a	6.43 ± 0.001 Å
b	9.321 ± 0.001 Å
c	9.463 ± 0.001 Å
α	83.124 ± 0.002°
β	73.692 ± 0.002°
γ	75.836 ± 0.002°
Cell volume	527 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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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