Information card for entry 7204526

Structure parameters

• Formula: C20 H34 O3 S Si
• Calculated formula: C20 H34 O3 S Si
• SMILES: S(C(C(=O)C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C)(C)C)c1ccccc1.S(C(C(=O)C[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C)(C)C)c1ccccc1
• Title of publication: Scope and limitation of the [1,2]-phenylsulfanyl (PhS) migration in the synthesis of tetrahydrofurans and tetrahydropyrans from common triol precursors
• Authors of publication: House, David; Kerr, Fraser; Warren, Stuart
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 2652
• a: 10.82 ± 0.003 Å
• b: 13.543 ± 0.004 Å
• c: 7.72 ± 0.002 Å
• α: 91.37 ± 0.03°
• β: 97.96 ± 0.02°
• γ: 87.39 ± 0.02°
• Cell volume: 1119 ± 0.5 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.1359
• Weighted residual factors for significantly intense reflections: 0.1102
• Goodness-of-fit parameter for all reflections: 1.019
• Goodness-of-fit parameter for significantly intense reflections: 1.122
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No