Information card for entry 4062109

Structure parameters

• Formula: C39 H40 O3 P2 Pd
• Calculated formula: C39 H40 O3 P2 Pd
• SMILES: [Pd]12([P](c3ccccc3)(c3ccccc3)[C@@H](C)C[C@@H]([P]1(c1ccccc1)c1ccccc1)C)[C@@H](Oc1ccccc21)C(=O)OCC
• Title of publication: Ligand-Controlled Asymmetric Induction at a Transition Metal-Bonded α-Carbon in Ester and Amide Enolates. Diastereoselective Formation of Oxapalladacycles Applied to the Synthesis of a Chiral Nonracemic 2H-1-Benzopyran.
• Authors of publication: Portscheller, Janelle L.; Lilly, Sara E.; Malinakova, Helena C.
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 12.4777 ± 0.0005 Å
• b: 14.8627 ± 0.0006 Å
• c: 18.4151 ± 0.0008 Å
• α: 90°
• β: 95.101 ± 0.002°
• γ: 90°
• Cell volume: 3401.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No