Information card for entry 4020629

Structure parameters

• Formula: C24 H18
• Calculated formula: C24 H18
• SMILES: c1ccccc1C#CC(=C(c1ccccc1)/c1ccccc1)/C=C
• Title of publication: Facile Synthesis of 2-Alkynyl Buta-1,3-dienes via Sonogashira Cross-Coupling Methodology
• Authors of publication: Li-Xiong Shao; Min Shi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8635 - 8637
• a: 9.8838 ± 0.0018 Å
• b: 10.5056 ± 0.0018 Å
• c: 10.8938 ± 0.0019 Å
• α: 117.681 ± 0.003°
• β: 99.163 ± 0.004°
• γ: 108.395 ± 0.004°
• Cell volume: 885.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• 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