Information card for entry 7158482

Structure parameters

• Formula: C25 H42 O4 S Si
• Calculated formula: C25 H42 O4 S Si
• SMILES: S(=O)(=O)(O[C@@H]1[C@]2(CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2CC[C@H]1C)C)c1ccc(cc1)C
• Title of publication: On the mechanism of the dyotropic expansion of hydrindanes into decalins.
• Authors of publication: Santalla, Hugo; Nieto Faza, Olalla; Gómez, Generosa; Fall, Yagamare; López, Carlos Silva
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 5
• Pages of publication: 1073 - 1079
• a: 9.9546 ± 0.0009 Å
• b: 11.138 ± 0.0011 Å
• c: 24.037 ± 0.002 Å
• α: 93.903 ± 0.004°
• β: 95.575 ± 0.004°
• γ: 90.203 ± 0.004°
• Cell volume: 2646.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No