Information card for entry 4020950

Structure parameters

• Common name: 10(5)theta_nitrobenzene
• Formula: C33 H35 N O2 Se6
• Calculated formula: C33 H35 N O2 Se6
• SMILES: [Se]1C#CC#C[Se]CCCCC[Se]C#CC#C[Se]CCCCC[Se]C#CC#C[Se]CCCCC1.N(=O)(=O)c1ccccc1
• 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: 9.9951 ± 0.0003 Å
• b: 14.4483 ± 0.0004 Å
• c: 14.512 ± 0.0004 Å
• α: 113.286 ± 0.001°
• β: 103.989 ± 0.001°
• γ: 102.957 ± 0.001°
• Cell volume: 1743.54 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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