Information card for entry 4020905

Structure parameters

• Formula: C15 H14 O2
• Calculated formula: C15 H14 O2
• SMILES: O=C1C2=C(OC=C[C@@H]2c2ccccc2)CCC1
• Title of publication: Ruthenium-Catalyzed Cycloaddition between Propargylic Alcohols and Cyclic 1,3-Dicarbonyl Compounds via an Allenylidene Intermediate
• Authors of publication: Yoshiaki Nishibayashi; Masato Yoshikawa; Youichi Inada; Masanobu Hidai; Sakae Uemura
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 3408 - 3412
• a: 8.264 ± 0.0007 Å
• b: 11.829 ± 0.001 Å
• c: 12.102 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1183 ± 0.2 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No