Information card for entry 4063789

Structure parameters

• Formula: C32 H40 Cl N2 O P Pd
• Calculated formula: C32 H40 Cl N2 O P Pd
• SMILES: [Pd]12(Cl)([P]3(N([C@@H]4[C@H](CCCC4)N3Cc3ccccc3)Cc3ccccc3)O[C@@H](C)c3ccccc3)[CH2]=[C]1(C2)C
• Title of publication: Modular Approach to New Chiral Monodentate Diamidophosphite Ligands. Application in Palladium-Catalyzed Asymmetric Hydrovinylation of Styrene
• Authors of publication: Ayora, Isabel; Ceder, Rosa M.; Espinel, Mauricio; Muller, Guillermo; Rocamora, Mercè; Serrano, Marta
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 1
• Pages of publication: 115
• a: 9.9272 ± 0.0002 Å
• b: 14.8544 ± 0.0005 Å
• c: 10.7168 ± 0.0003 Å
• α: 90°
• β: 104.707 ± 0.002°
• γ: 90°
• Cell volume: 1528.55 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No