Information card for entry 4023323

Structure parameters

• Formula: C36 H41 Cl N2 Pd
• Calculated formula: C36 H41 Cl N2 Pd
• Title of publication: Development of Biisoquinoline-Based Chiral Diaminocarbene Ligands: Enantioselective S~N~2' Allylic Alkylation Catalyzed by Copper-Carbene Complexes
• Authors of publication: Hwimin Seo; Dimitri Hirsch-Weil; Khalil A. Abboud; Sukwon Hong
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 1983 - 1986
• a: 5.6873 ± 0.0004 Å
• b: 23.3061 ± 0.0018 Å
• c: 23.7168 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3143.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No