Information card for entry 4107519

Structure parameters

• Formula: C19 H20 O2
• Calculated formula: C19 H20 O2
• SMILES: O(/C(=C/c1ccc(C)cc1)C#C)C1=CC(=O)CC(C1)(C)C
• 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: 14.0117 ± 0.0002 Å
• b: 7.9618 ± 0.0002 Å
• c: 27.913 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3113.93 ± 0.11 ų
• Cell temperature: 173.1 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
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0616
• 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