Information card for entry 7100977

Structure parameters

• Formula: C15 H9 N O3
• Calculated formula: C15 H9 N O3
• SMILES: c1ccccc1C#CC(=O)c1ccc(cc1)N(=O)=O
• Title of publication: Room Temperature Palladium Catalysed Coupling of Acyl Chlorides with Terminal Alkynes
• Authors of publication: Dr Russell J Cox; Dougal J Ritson; Thomas A Dane; John Berge; Jonathan P. H. Charmant; Anob Kantacha
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 7.6488 ± 0.0006 Å
• b: 7.1371 ± 0.0006 Å
• c: 10.9816 ± 0.0009 Å
• α: 90°
• β: 97.617 ± 0.002°
• γ: 90°
• Cell volume: 594.2 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No