Information card for entry 1504068

Structure parameters

• Formula: C24 H28 O6 S2
• Calculated formula: C24 H28 O6 S2
• SMILES: S(=O)(=O)(c1ccccc1)C1(S(=O)(=O)c2ccccc2)C[C@H](C=C)O[C@H](C1)[C@@]1(CCCO1)C.S(=O)(=O)(c1ccccc1)C1(S(=O)(=O)c2ccccc2)C[C@@H](C=C)O[C@@H](C1)[C@]1(CCCO1)C
• Title of publication: Gold(I)-catalyzed cascade cyclization of allenyl epoxides.
• Authors of publication: Tarselli, Michael A.; Zuccarello, J. Lucas; Lee, Stephen J.; Gagné, Michel R
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 15
• Pages of publication: 3490 - 3492
• a: 10.3844 ± 0.001 Å
• b: 11.1279 ± 0.001 Å
• c: 19.5084 ± 0.0018 Å
• α: 90°
• β: 98.041 ± 0.007°
• γ: 90°
• Cell volume: 2232.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No