Information card for entry 4021083

Structure parameters

• Formula: C22.5 H22 Cl3 P Pd S
• Calculated formula: C22.5 H22 Cl3 P Pd S
• 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: 10.846 ± 0.002 Å
• b: 13.814 ± 0.003 Å
• c: 15.218 ± 0.004 Å
• α: 90°
• β: 92.512 ± 0.006°
• γ: 90°
• Cell volume: 2277.9 ± 0.9 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 2 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
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1016
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No