Information card for entry 4063484

Structure parameters

• Formula: C53 H47 Cl11 O5 P2 Pd
• Calculated formula: C53 H47 Cl11 O5 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P]2(Oc3c([P]1(c1ccccc1)c1ccccc1)cccc3C)OC([C@@H]1OC(O[C@H]1C(O2)(c1ccccc1)c1ccccc1)(C)C)(c1ccccc1)c1ccccc1.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Asymmetric Hydroformylation Using Taddol-Based Chiral Phosphine−Phosphite Ligands
• Authors of publication: Robert, Tobias; Abiri, Zohar; Wassenaar, Jeroen; Sandee, Albertus J.; Romanski, Steffen; Neudörfl, Jörg-Martin; Schmalz, Hans-Günther; Reek, Joost N. H.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 2
• Pages of publication: 478 - 483
• a: 11.1298 ± 0.0004 Å
• b: 18.3889 ± 0.0007 Å
• c: 27.0464 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5535.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No