Information card for entry 4107634

Structure parameters

• Formula: C27 H24 F3 O9 P S
• Calculated formula: C27 H24 F3 O9 P S
• SMILES: [P+](C(=C(C(=O)OC)C(=O)OC)C(=O)OC)(c1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)(C(F)(F)F)[O-]
• Title of publication: Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications
• Authors of publication: Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 4610 - 4617
• a: 10.8836 ± 0.0003 Å
• b: 11.24 ± 0.0002 Å
• c: 13.2769 ± 0.0004 Å
• α: 103.065 ± 0.002°
• β: 95.015 ± 0.002°
• γ: 114.689 ± 0.002°
• Cell volume: 1406.85 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No