Information card for entry 7108546

Structure parameters

• Formula: C20 H20 O2
• Calculated formula: C20 H20 O2
• SMILES: O1c2ccccc2C2=CC(O[C@H]([C@@H]2C1)c1ccccc1)(C)C.O1c2ccccc2C2=CC(O[C@@H]([C@H]2C1)c1ccccc1)(C)C
• Title of publication: Gold-catalyzed diastereoselective [2+2+2]-cycloaddition of 1,7-enynes with carbonyl compounds
• Authors of publication: Deepak B. Huple; Rai-Shung Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10975
• a: 8.9306 ± 0.0004 Å
• b: 17.9709 ± 0.0007 Å
• c: 19.8097 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3179.3 ± 0.2 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 all reflections: 0.1806
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.2528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No