Information card for entry 4111313

Structure parameters

• Formula: C36 H67 F3 O4 P2 Pd S
• Calculated formula: C36 H67 F3 O4 P2 Pd S
• SMILES: [Pd]12([P](CCC[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C[C]12=CC(=C(OC)C(=C1)C(C)(C)C)C(C)(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis and Reactivity of the Methylene Arenium Form of a Benzyl Cation, Stabilized by Complexation
• Authors of publication: Elena Poverenov; Gregory Leitus; David Milstein
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 16450 - 16451
• a: 10.963 ± 0.002 Å
• b: 13.76 ± 0.003 Å
• c: 13.558 ± 0.003 Å
• α: 90°
• β: 103.21 ± 0.03°
• γ: 90°
• Cell volume: 1991.1 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No