Information card for entry 4020930

Structure parameters

• Common name: 2(5)
• Formula: C18 H20 S4
• Calculated formula: C18 H20 S4
• SMILES: C1CCCCSC#CC#CSCCCCCSC#CC#CS1
• Title of publication: Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization
• Authors of publication: Daniel B. Werz; Rolf Gleiter; Frank Rominger
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 2945 - 2952
• a: 4.5655 ± 0.0004 Å
• b: 17.0633 ± 0.0013 Å
• c: 13.2346 ± 0.0011 Å
• α: 90°
• β: 91.344 ± 0.003°
• γ: 90°
• Cell volume: 1030.72 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No