Information card for entry 4020945

Structure parameters

• Formula: C31 H34 S Se6
• Calculated formula: C31.08 H30 S1.02 Se6
• 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: 24.3194 ± 0.0004 Å
• b: 24.3194 ± 0.0004 Å
• c: 10.0783 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5162.1 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No