Information card for entry 4116134

Structure parameters

• Formula: C21 H24 O2
• Calculated formula: C21 H24 O2
• SMILES: O([C@@H]([C@](CC(=O)c1ccccc1)(C(=C)C)C)c1ccccc1)C.O([C@H]([C@@](CC(=O)c1ccccc1)(C(=C)C)C)c1ccccc1)C
• Title of publication: Nickel-Catalyzed Acylstannylation of 1,3-Dienes: Synthesis and Reaction of ε-Oxoallylstannanes
• Authors of publication: Eiji Shirakawa; Yoshiaki Nakao; Hiroto Yoshida; Tamejiro Hiyama
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 9030 - 9031
• a: 23.807 ± 0.005 Å
• b: 13.334 ± 0.004 Å
• c: 11.354 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3604 ± 2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.78
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No