Information card for entry 2100999

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: 17.7366 ± 0.0017 Å
• b: 9.8219 ± 0.0007 Å
• c: 9.0558 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1577.6 ± 0.3 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P b c 21
• Hall space group symbol: P 2c -2b
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No