Information card for entry 4109155

Structure parameters

• Formula: C55 H46 Cl6 F6 O8 P2 Pd S2
• Calculated formula: C54.8 H46 Cl6 F6 O8 P2 Pd S2
• SMILES: [Pd]1[P]2(Cc3ccc4ccccc4c3c3c4ccccc4ccc3C2)c2ccccc2[P]21Cc1ccc3ccccc3c1c1c3ccccc3ccc1C2.ClCCl.ClCCl.ClCCl.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O.O
• Title of publication: Palladium-Catalyzed Enantioselective Cyclization of Silyloxy-1,6-Enynes
• Authors of publication: Britton K. Corkey; F. Dean Toste
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 2764 - 2765
• a: 9.94 ± 0.002 Å
• b: 19.177 ± 0.004 Å
• c: 16 ± 0.003 Å
• α: 90°
• β: 107.734 ± 0.002°
• γ: 90°
• Cell volume: 2905 ± 1 ų
• Cell temperature: 153.2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.0373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.431
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No