Information card for entry 4063365

Structure parameters

• Formula: C29 H28 B F4 P Pd S
• Calculated formula: C29 H28 B F4 P Pd S
• Title of publication: Sterically Governed Selectivity in Palladium-Assisted Allylic Alkylation
• Authors of publication: Kleimark, Jonatan; Johansson, Charlotte; Olsson, Susanne; Håkansson, Mikael; Hansson, Sverker; Åkermark, Björn; Norrby, Per-Ola
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 2
• Pages of publication: 230
• a: 14.315 ± 0.003 Å
• b: 9.8835 ± 0.0019 Å
• c: 20.117 ± 0.004 Å
• α: 90°
• β: 102.401 ± 0.007°
• γ: 90°
• Cell volume: 2779.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1214
• Residual factor for significantly intense reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No