Information card for entry 1515683

Structure parameters

• Formula: C33 H34 O4 S2
• Calculated formula: C33 H34 O4 S2
• SMILES: S(=O)(=O)(C1(S(=O)(=O)c2ccccc2)C[C@@H]2[C@H]([C@@]2(C1)C1[C@@H]2CCC=CCC[C@H]12)c1ccccc1)c1ccccc1.S(=O)(=O)(C1(S(=O)(=O)c2ccccc2)C[C@H]2[C@@H]([C@]2(C1)C1[C@H]2CCC=CCC[C@@H]12)c1ccccc1)c1ccccc1
• Title of publication: Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes
• Authors of publication: Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 141
• a: 10.7285 ± 0.0012 Å
• b: 10.9833 ± 0.0012 Å
• c: 13.0463 ± 0.0012 Å
• α: 111.389 ± 0.005°
• β: 92.772 ± 0.005°
• γ: 103.536 ± 0.006°
• Cell volume: 1376.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No