Information card for entry 4020937

Structure parameters

• Common name: 8(4)
• Formula: C24 H24 S6
• Calculated formula: C24 H24 S6
• SMILES: S1C#CC#CSCCCCSC#CC#CSCCCCSC#CC#CSCCCC1
• 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: 6.2201 ± 0.0002 Å
• b: 14.9367 ± 0.0005 Å
• c: 14.375 ± 0.0005 Å
• α: 90°
• β: 102.156 ± 0.001°
• γ: 90°
• Cell volume: 1305.6 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No