Information card for entry 4020942

Structure parameters

• Formula: C31 H32 Se6
• Calculated formula: C31 H32 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: 9.0393 ± 0.0004 Å
• b: 14.0025 ± 0.0006 Å
• c: 14.8178 ± 0.0006 Å
• α: 63.236 ± 0.001°
• β: 78.332 ± 0.001°
• γ: 84.873 ± 0.001°
• Cell volume: 1640 ± 0.12 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