Information card for entry 4021185

Structure parameters

• Formula: C45 H39.4 F6 N3 O0.2 P2 Pd
• Calculated formula: C45 H39 F5.96 N3 O0.2 P2 Pd
• 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: 11.4972 ± 0.0001 Å
• b: 15.6101 ± 0.0001 Å
• c: 21.7615 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3905.59 ± 0.06 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