Information card for entry 4102576

Structure parameters

• Common name: SGS5-83
• Chemical name: toste17
• Formula: C22 H28 O6
• Calculated formula: C22 H28 O6
• SMILES: [C@@]12(CC(CC(=C)[C@@H]1Cc1cc(ccc1O2)OC)(C(=O)OCC)C(=O)OCC)C.[C@]12(CC(CC(=C)[C@H]1Cc1cc(ccc1O2)OC)(C(=O)OCC)C(=O)OCC)C
• Title of publication: Gold(I)-Catalyzed Enantioselective Polycyclization Reactions
• Authors of publication: Steven G. Sethofer; Timo Mayer; F. Dean Toste
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 8276 - 8277
• a: 8.7941 ± 0.0006 Å
• b: 10.3348 ± 0.0007 Å
• c: 12.3385 ± 0.0009 Å
• α: 88.425 ± 0.002°
• β: 70.796 ± 0.002°
• γ: 70.657 ± 0.002°
• Cell volume: 995.02 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No