Information card for entry 4113457

Structure parameters

• Formula: C38 H37 Cl2 I N O P Pd
• Calculated formula: C38 H35 Cl2 I N O P Pd
• Title of publication: Intramolecular Pd-Mediated Processes of Amino-Tethered Aryl Halides and Ketones: Insight into the Ketone α-Arylation and Carbonyl-Addition Dichotomy. A New Class of Four-Membered Azapalladacycles
• Authors of publication: Daniel Solé; Lluís Vallverdú; Xavier Solans; Mercè Font-Bardía; Josep Bonjoch
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 1587 - 1594
• a: 9.719 ± 0.001 Å
• b: 20.633 ± 0.001 Å
• c: 17.793 ± 0.001 Å
• α: 90°
• β: 90.54°
• γ: 90°
• Cell volume: 3567.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No