Information card for entry 4109896

Structure parameters

• Formula: C16 H23 O5 P S
• Calculated formula: C16 H23 O5 P S
• SMILES: S(=O)(=O)([C@@H]1[C@@H]2[P@@](=O)(O[C@H]([C@H]1C)CCC2)OCC)c1ccccc1
• Title of publication: Conversion of Cyclic Vinyl Sulfones to Transposed Vinyl Phosphonates
• Authors of publication: Mohammad N. Noshi; Ahmad El-Awa; Eduardo Torres; Philip L. Fuchs
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 11242 - 11247
• a: 9.9976 ± 0.0006 Å
• b: 8.4008 ± 0.0003 Å
• c: 10.7974 ± 0.0006 Å
• α: 90°
• β: 108.986 ± 0.003°
• γ: 90°
• Cell volume: 857.52 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.047
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No