Information card for entry 4107518

Structure parameters

• Formula: C15 H12 O2
• Calculated formula: C15 H12 O2
• SMILES: O(C(=C\c1ccccc1)\C#C)C1=CC(=O)CC1
• Title of publication: Ruthenium-Catalyzed Vinylic Substitution Reactions with Nucleophiles via Butatrienylidene Intermediates
• Authors of publication: Yoshihiro Yamauchi; Masahiro Yuki; Yoshiaki Tanabe; Yoshihiro Miyake; Youichi Inada; Sakae Uemura; Yoshiaki Nishibayashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2908 - 2909
• a: 13.9616 ± 0.0004 Å
• b: 5.5553 ± 0.0002 Å
• c: 15.2886 ± 0.0005 Å
• α: 90°
• β: 92.1092 ± 0.0014°
• γ: 90°
• Cell volume: 1184.99 ± 0.07 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No