Information card for entry 4068172

Structure parameters

• Formula: C42 H63 Cl4 N3 Pd
• Calculated formula: C42 H63 Cl4 N3 Pd
• SMILES: [Pd](=C(N(C/C=C/c1ccccc1)[C@@H]1[C@@]2(CC[C@H](C1)C2(C)C)C)N[C@@H]1[C@@]2(CC[C@H](C1)C2(C)C)C)(Cl)(Cl)C#[N][C@@H]1[C@@]2(CC[C@H](C1)C2(C)C)C.ClCCl
• Title of publication: Six-Membered, Chiral NHCs Derived from Camphor: Structure‒Reactivity Relationship in Asymmetric Oxindole Synthesis
• Authors of publication: Spallek, Markus J.; Riedel, Dominic; Rominger, Frank; Hashmi, A. Stephen K.; Trapp, Oliver
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 1127
• a: 7.5914 ± 0.0001 Å
• b: 24.8688 ± 0.0005 Å
• c: 11.7953 ± 0.0002 Å
• α: 90°
• β: 105.369 ± 0.001°
• γ: 90°
• Cell volume: 2147.19 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No