Information card for entry 4020932

Structure parameters

• Common name: 9(2)
• Formula: C12 H8 Se4
• Calculated formula: C12 H8 Se4
• SMILES: C1#CC#C[Se]CC[Se]C#CC#C[Se]CC[Se]1
• 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: 7.8752 ± 0.0005 Å
• b: 10.7861 ± 0.0007 Å
• c: 8.9165 ± 0.0006 Å
• α: 90°
• β: 109.52 ± 0.002°
• γ: 90°
• Cell volume: 713.86 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No