Information card for entry 7100669

Structure parameters

• Formula: C16 H16 O2
• Calculated formula: C16 H16 O2
• SMILES: O=C1OC(C(=C1C)C=C=C(C)C)c1ccccc1
• Title of publication: From Allene to Allene: A Palladium-Catalyzed Approach to b-Allenyl Butenolides and Their Application to the Synthesis of Polysubstituted Benzene Derivatives
• Authors of publication: Shengming Ma.; Youqian Deng.; Zhenhua Gu.
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 11.592 ± 0.002 Å
• b: 14.568 ± 0.003 Å
• c: 16.342 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2759.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No