Information card for entry 4068173

Structure parameters

• Formula: C37 H61 Cl6 N3 Pd
• Calculated formula: C37 H61 Cl6 N3 Pd
• SMILES: [Pd](=C1N(CCCN1[C@@H]1[C@@]2(CC[C@H](C1)C2(C)C)C)[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.C(Cl)Cl.C(Cl)Cl
• 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: 10.8158 ± 0.0007 Å
• b: 17.263 ± 0.0011 Å
• c: 22.0491 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4116.9 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No