Information card for entry 4021088

Structure parameters

• Formula: C34 H36 F6 P Pd S Sb
• Calculated formula: C34 H36 F6 P Pd S Sb
• SMILES: [Pd]123([S]([C@@H]([C@H]4[C@@H]([P]1(c1ccccc1)c1ccccc1)C4)C)CC)[CH](=[CH]2C3c1ccccc1)c1ccccc1.[Sb](F)(F)(F)(F)(F)[F-].[Pd]123([S]([C@H]([C@@H]4[C@H]([P]1(c1ccccc1)c1ccccc1)C4)C)CC)[CH](=[CH]2C3c1ccccc1)c1ccccc1.[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation
• Authors of publication: Gary A. Molander; Jason P. Burke; Patrick J. Carroll
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 8062 - 8069
• a: 11.2383 ± 0.0004 Å
• b: 26.2045 ± 0.0009 Å
• c: 11.5745 ± 0.0004 Å
• α: 90°
• β: 95.01°
• γ: 90°
• Cell volume: 3395.6 ± 0.2 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No