Information card for entry 4308196

Structure parameters

• Formula: C26 H35 O2 P Pd
• Calculated formula: C26 H35 O2 P Pd
• SMILES: [Pd]12(OC(=CC(=[O]1)C)C)[P]([C@H](c1c2cccc1)c1ccccc1)(C(C)(C)C)C(C)(C)C
• Title of publication: Cyclopalladation of the Prochiral (Di-tert-butyl)(diphenylmethyl)phosphine: Kinetic Lability of the Corresponding (+)-Phosphapalladacyclic Pd-C Bond and the Reluctance of the Phosphine to Bind in a Monodentate Fashion
• Authors of publication: Joseph Kok-Peng Ng; Shuli Chen; Yongxin Li; Geok-Kheng Tan; Lip-Lin Koh; Pak-Hing Leung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5100 - 5109
• a: 9.9659 ± 0.0015 Å
• b: 15.391 ± 0.002 Å
• c: 16.128 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2473.8 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No