Information card for entry 4021182

Structure parameters

• Formula: C51 H43 Cl N3 P Pd
• Calculated formula: C51 H43 Cl N3 P Pd
• SMILES: c1(c(ccc2ccccc12)[P](c1ccccc1)(c1ccccc1)[Pd]1(c2ccc3ccccc3c2[C@@H](C)[N]1(C)C)Cl)c1c2c(cccc2)nc(Cc2ccccc2)n1
• 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: 10.6243 ± 0.0001 Å
• b: 16.1488 ± 0.0002 Å
• c: 23.9876 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4115.55 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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