Information card for entry 7032050

Structure parameters

• Formula: C23 H39 I2 N3 O2 Pd
• Calculated formula: C23 H39 I2 N3 O2 Pd
• SMILES: C1CC[C@@H](C(=O)OC(C)(C)C)N1C(=[Pd](C#[N]C1CCCCC1)(I)I)NC1CCCCC1
• Title of publication: Metal-mediated coupling of amino acid esters with isocyanides leading to new chiral acyclic aminocarbene complexes.
• Authors of publication: Anisimova, Tatyana B.; Guedes da Silva, M Fátima C; Kukushkin, Vadim Yu; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 15861 - 15871
• a: 11.089 ± 0.003 Å
• b: 9.429 ± 0.004 Å
• c: 13.503 ± 0.007 Å
• α: 90°
• β: 93.98 ± 0.04°
• γ: 90°
• Cell volume: 1408.4 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No