Information card for entry 4021086

Structure parameters

• Formula: C25 H27 Cl2 P Pd S
• Calculated formula: C25 H27 Cl2 P Pd S
• SMILES: [Pd]1(Cl)(Cl)[S]([C@@H]([C@H]2[C@@H]([P]1(c1ccccc1)c1ccccc1)C2)C)c1c(cccc1C)C.[Pd]1(Cl)(Cl)[S]([C@H]([C@@H]2[C@H]([P]1(c1ccccc1)c1ccccc1)C2)C)c1c(cccc1C)C
• 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: 9.5511 ± 0.0007 Å
• b: 17.748 ± 0.001 Å
• c: 14.4104 ± 0.001 Å
• α: 90°
• β: 101.117 ± 0.001°
• γ: 90°
• Cell volume: 2396.9 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 6
• 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