Information card for entry 4020928

Structure parameters

• Common name: 2(3)
• Formula: C14 H12 S4
• Calculated formula: C14 H12 S4
• SMILES: C1SC#CC#CSCCCSC#CC#CSCC1
• 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: 9.5766 ± 0.0002 Å
• b: 9.0725 ± 0.0002 Å
• c: 16.959 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1473.46 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No