Information card for entry 4106386

Structure parameters

• Formula: C16 H20 O5
• Calculated formula: C16 H20 O5
• SMILES: O=C1CCC=CC2C(=C1C)CC(C2)(C(=O)OC)C(=O)OC
• Title of publication: Rh(I)-Catalyzed Formal [6 + 2] Cycloaddition of 4-Allenals with Alkynes or Alkenes in a Tether
• Authors of publication: Yoshihiro Oonishi; Akihito Hosotani; Yoshihiro Sato
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 10386 - 10389
• a: 7.65 ± 0.002 Å
• b: 11.016 ± 0.003 Å
• c: 18.306 ± 0.002 Å
• α: 90°
• β: 94.81 ± 0.01°
• γ: 90°
• Cell volume: 1537.3 ± 0.6 ų
• Cell temperature: 296.2 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: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.884
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No