Information card for entry 4120777

Structure parameters

• Formula: C23 H32 O3
• Calculated formula: C23 H32 O3
• SMILES: COC(=O)C1=C[C@H](C2([C@H]1OC)CCC(CC2)C(C)(C)C)c1ccccc1
• Title of publication: Enantioselective Gold(I)-Catalyzed Vinylogous [3 + 2] Cycloaddition between Vinyldiazoacetates and Enol Ethers
• Authors of publication: John F. Briones; Huw M. L. Davies
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 13314 - 13317
• a: 10.8332 ± 0.0002 Å
• b: 6.1272 ± 0.0001 Å
• c: 15.5015 ± 0.0003 Å
• α: 90°
• β: 90.022 ± 0.001°
• γ: 90°
• Cell volume: 1028.95 ± 0.03 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No