Information card for entry 7158481

Structure parameters

• Formula: C28 H42 O4 S Si
• Calculated formula: C28 H42 O4 S Si
• 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: 7.2736 ± 0.0009 Å
• b: 19.217 ± 0.002 Å
• c: 19.825 ± 0.002 Å
• α: 90°
• β: 91.946 ± 0.005°
• γ: 90°
• Cell volume: 2769.5 ± 0.5 ų
• Cell temperature: 100 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: 0.0841
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No