Information card for entry 4102577

Structure parameters

• Common name: SGS5_151
• Chemical name: toste18
• Formula: C29 H40 O6
• Calculated formula: C29 H40 O6
• SMILES: [C@]12(c3c(cc(cc3CC[C@H]1[C@@]1(CC(CC(=C)[C@H]1CC2)(C(=O)OCC)C(=O)OCC)C)OC)OC)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: 9.6322 ± 0.0006 Å
• b: 9.7408 ± 0.0006 Å
• c: 14.0139 ± 0.0009 Å
• α: 90°
• β: 91.456 ± 0.002°
• γ: 90°
• Cell volume: 1314.43 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0298
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No