Information card for entry 4020940

Structure parameters

• Formula: C34 H38 S6
• Calculated formula: C34 H38 S6
• SMILES: S1C#CC#CSCCCCCSC#CC#CSCCCCCSC#CC#CSCCCCC1.Cc1ccccc1
• 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: 9.6703 ± 0.0001 Å
• b: 14.3531 ± 0.0001 Å
• c: 14.6377 ± 0.0002 Å
• α: 114.018 ± 0.001°
• β: 102.792 ± 0.001°
• γ: 102.077 ± 0.001°
• Cell volume: 1704.47 ± 0.03 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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