Information card for entry 4020933

Structure parameters

• Common name: 9(3)
• Formula: C14 H12 Se4
• Calculated formula: C14 H12 Se4
• SMILES: C1[Se]C#CC#C[Se]CCC[Se]C#CC#C[Se]CC1
• 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: 8.849 ± 0.0001 Å
• b: 9.993 ± 0.0003 Å
• c: 9.089 ± 0.0003 Å
• α: 90°
• β: 104.429 ± 0.002°
• γ: 90°
• Cell volume: 778.37 ± 0.04 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/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No