Information card for entry 4104351

Structure parameters

• Formula: C24 H26 O4 S2
• Calculated formula: C24 H26 O4 S2
• SMILES: S(=O)(=O)(C1(S(=O)(=O)c2ccccc2)C[C@@H]2C(=C(C)C)CC=C[C@H]2C1)c1ccccc1.S(=O)(=O)(C1(S(=O)(=O)c2ccccc2)C[C@H]2C(=C(C)C)CC=C[C@@H]2C1)c1ccccc1
• Title of publication: Ligand-Controlled Access to [4 + 2] and [4 + 3] Cycloadditions in Gold-Catalyzed Reactions of Allene-Dienes
• Authors of publication: Pablo Mauleón; Rachel M. Zeldin; Ana Z. González; F. Dean Toste
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 6348 - 6349
• a: 8.804 ± 0.001 Å
• b: 12.052 ± 0.002 Å
• c: 12.271 ± 0.002 Å
• α: 108.289 ± 0.002°
• β: 108.256 ± 0.002°
• γ: 105.125 ± 0.002°
• Cell volume: 1076.8 ± 0.3 ų
• Cell temperature: 144.2 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: 0.0545
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.748
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No