Information card for entry 4110267

Structure parameters

• Formula: C21 H22 O4
• Calculated formula: C28 H29.3333 O5.33333
• Title of publication: Palladium-Catalyzed Synthesis of Spiro[2.4]heptanes: Ligand-Dependent Position Control in the Nucleophilic Attack to a π-Allylpalladium Intermediate
• Authors of publication: Ryo Shintani; Soyoung Park; Tamio Hayashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 14866 - 14867
• a: 24.204 ± 0.011 Å
• b: 11.794 ± 0.005 Å
• c: 16.099 ± 0.007 Å
• α: 90°
• β: 131.987 ± 0.016°
• γ: 90°
• Cell volume: 3416 ± 3 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No