Information card for entry 1505956

Structure parameters

• Formula: C25 H38 N2 O4 S Si
• Calculated formula: C25 H38 N2 O4 S Si
• SMILES: S(=O)(=O)(C1=C[C@@H](O)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1n1nc(cc1C)C)C)c1ccccc1
• Title of publication: Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.
• Authors of publication: El-Awa, Ahmad; Fuchs, Philip
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 14
• Pages of publication: 2905 - 2908
• a: 7.9018 ± 0.0007 Å
• b: 13.9786 ± 0.0014 Å
• c: 12.2708 ± 0.0011 Å
• α: 90°
• β: 100.951 ± 0.005°
• γ: 90°
• Cell volume: 1330.7 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No