Information card for entry 1515682

Structure parameters

• Formula: C32 H32 O4 S2
• Calculated formula: C32 H32 O4 S2
• SMILES: S(=O)(=O)(C1(S(=O)(=O)c2ccccc2)C[C@@H]2[C@](C1)([C@H]2c1ccccc1)C1[C@H]2[C@@H]3CC[C@H]([C@@H]12)C3)c1ccccc1.S(=O)(=O)(C1(S(=O)(=O)c2ccccc2)C[C@H]2[C@@](C1)([C@@H]2c1ccccc1)C1[C@@H]2[C@H]3CC[C@@H]([C@H]12)C3)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: 10.0661 ± 0.0009 Å
• b: 11.2303 ± 0.0012 Å
• c: 12.7093 ± 0.0012 Å
• α: 108.467 ± 0.005°
• β: 92.142 ± 0.005°
• γ: 102.893 ± 0.005°
• Cell volume: 1319.3 ± 0.2 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: 0.0495
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No