Information card for entry 4063485

Structure parameters

• Formula: C55 H52 Cl8 O5 P2 Pd
• Calculated formula: C55 H52 Cl8 O5 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P]2(OC([C@@H]3OC(O[C@H]3C(O2)(c2ccccc2)c2ccccc2)(C)C)(c2ccccc2)c2ccccc2)Oc2c([P]1(c1ccccc1)c1ccccc1)cccc2C(C)(C)C.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: 11.7707 ± 0.001 Å
• b: 14.8558 ± 0.001 Å
• c: 15.7168 ± 0.001 Å
• α: 90°
• β: 99.1439 ± 0.001°
• γ: 90°
• Cell volume: 2713.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No