Information card for entry 4087700

Structure parameters

• Formula: C38 H52 F6 O4 P2 Pd
• Calculated formula: C38 H52 F6 O4 P2 Pd
• SMILES: [Pd]1([P](C[C@@H]2C3c4ccccc4C([C@H]2C[P]1(C(C)(C)C)C(C)(C)C)c1c3cccc1)(C(C)(C)C)C(C)(C)C)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
• Title of publication: Palladium Complexes with Bulky Diphosphine Ligands as Highly Selective Catalysts for the Synthesis of (Bio-) Adipic Acid from Pentenoic Acid Mixtures.
• Authors of publication: Low, Choon Heng; Nobbs, James D.; van Meurs, Martin; Stubbs, Ludger P.; Drent, Eite; Aitipamula, Srinivasulu; Pung, Michelle H. L.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 4281
• a: 11.779 ± 0.002 Å
• b: 15.373 ± 0.002 Å
• c: 12.107 ± 0.002 Å
• α: 90°
• β: 118.184 ± 0.002°
• γ: 90°
• Cell volume: 1932.4 ± 0.5 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 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: 0.0375
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No