Information card for entry 1556063

Structure parameters

• Formula: C19 H38 O4 S Si
• Calculated formula: C19 H38 O4 S Si
• SMILES: S(=O)(=O)(O[C@H]1[C@H](C)CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C)C
• Title of publication: From Hydrindane to Decalin: A Mild Transformation through a Dyotropic Ring Expansion.
• Authors of publication: Santalla, Hugo; Faza, Olalla Nieto; Gómez, Generosa; Fall, Yagamare; Silva López, Carlos
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 3648 - 3651
• a: 12.0435 ± 0.0011 Å
• b: 8.0033 ± 0.0007 Å
• c: 23.937 ± 0.002 Å
• α: 90°
• β: 102.088 ± 0.003°
• γ: 90°
• Cell volume: 2256.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No