Information card for entry 4021184

Structure parameters

• Formula: C46 H39 Cl6 F6 N3 P2 Pd
• Calculated formula: C46 H39 Cl6 F6 N3 P2 Pd
• SMILES: c12c3c(cccc3)nc[n]2[Pd]2(c3ccc4ccccc4c3[C@@H](C)[N]2(C)C)[P](c2c1c1c(cc2)cccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration
• Authors of publication: David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 6572 - 6589
• a: 13.207 ± 0.0007 Å
• b: 13.9716 ± 0.0008 Å
• c: 25.6685 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4736.4 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No