Information card for entry 4063045

Structure parameters

• Formula: C39 H41 Cl5 N4 O2 P Rh S
• Calculated formula: C39 H41 Cl5 N4 O2 P Rh S
• SMILES: [Rh]12([P]3(n4c(C(c5n3c(C3OC[C@@H]([N]2=3)C(C)C)cc5)(c2ccccc2)c2ccccc2)ccc4C2OC[C@@H]([N]1=2)C(C)C)c1sccc1)(CCl)(Cl)Cl.C(Cl)Cl
• Title of publication: A chiral bis(oxazoline) phosphine with a rigid backbone: ligand synthesis and characterization of products obtained in highly diastereoselective reactions with a rhodium(I) complex and a tetrahedral "RhRu~3~" cluster
• Authors of publication: Koshevoy, Igor O.; Tunik, Sergey P.; Poë, Anthony J.; Lough, Alan; Pursiainen, Jouni; Pirilä, Päivi
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 11
• Pages of publication: 2641 - 2650
• a: 13.0617 ± 0.0002 Å
• b: 11.3621 ± 0.0002 Å
• c: 13.6659 ± 0.0002 Å
• α: 90°
• β: 90.5678 ± 0.0012°
• γ: 90°
• Cell volume: 2028.08 ± 0.06 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• 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