Crystallography Open Database

Information card for entry 2101000

Preview

Coordinates	2101000.cif
Original IUCr paper	HTML

Structure parameters

Formula	C12 H24 S4
Calculated formula	C12 H24 S4
SMILES	C1CCSCCCSCCCSCCCS1
Title of publication	Conformational studies on [16]aneS~4~. Structures of α- and β-[16]aneS~4~ ([16]aneS~4~ = 1,5,9,13-tetrathiacyclohexadecane)
Authors of publication	Blake, A. J.; Gould, R. O.; Halcrow, M. A.; Schröder, M.
Journal of publication	Acta Crystallographica Section B
Year of publication	1993
Journal volume	49
Journal issue	4
Pages of publication	773 - 779
a	5.5605 ± 0.0019 Å
b	8.124 ± 0.002 Å
c	17.662 ± 0.01 Å
α	90°
β	96.108 ± 0.017°
γ	90°
Cell volume	793.3 ± 0.6 Å³
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	Cu
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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