Information card for entry 4112081

Structure parameters

• Formula: C78 H102 Cl6 F6 O14 P2 Pd S2
• Calculated formula: C78 H102 Cl5.99 F6 O14 P2 Pd S2
• SMILES: [Pd]1([P](c2ccc3OCOc3c2c2c([P]1(c1cc(c(OC)c(c1)C(C)(C)C)C(C)(C)C)c1cc(c(OC)c(c1)C(C)(C)C)C(C)(C)C)ccc1OCOc21)(c1cc(c(OC)c(c1)C(C)(C)C)C(C)(C)C)c1cc(c(OC)c(c1)C(C)(C)C)C(C)(C)C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Catalytic Enantioselective Conia-Ene Reaction
• Authors of publication: Britton K. Corkey; F. Dean Toste
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 17168 - 17169
• a: 14.1334 ± 0.0004 Å
• b: 14.1334 ± 0.0004 Å
• c: 43.546 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8698.4 ± 0.7 ų
• Cell temperature: 162.2 K
• Number of distinct elements: 8
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.0305
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No