Information card for entry 8100051

Structure parameters

• Common name: 1,2,6,7,11,12-hexathiolane
• Formula: C9 H18 S6
• Calculated formula: C9 H18 S6
• SMILES: S1SCCCSSCCCSSCCC1
• Title of publication: Crystal structure of 1,2,6,7,11,12-hexathia-cyclopentadecane, C~9~H~18~S~6~
• Authors of publication: Sun, Yan-Qiu; Sun, Jie; Guo, Yue-Wei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 2
• Pages of publication: 119 - 120
• a: 5.637 ± 0.0013 Å
• b: 14.748 ± 0.004 Å
• c: 17.913 ± 0.004 Å
• α: 86.663 ± 0.005°
• β: 82.988 ± 0.004°
• γ: 83.742 ± 0.004°
• Cell volume: 1467.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No