Information card for entry 2101000

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 ų
• 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 Fobs: No