Information card for entry 4338967

Structure parameters

• Formula: C20 H21 Cl2 P Pd
• Calculated formula: C20 H21 Cl2 P Pd
• SMILES: [Pd]12(Cl)(Cl)[P]([C@H]3C[CH]1=[C]2(C(=C3)C)C)(c1ccccc1)c1ccccc1
• Title of publication: Novel stereochemistry, reactivity, and stability of an arsenic heterocycle in a metal-promoted asymmetric cycloaddition reaction.
• Authors of publication: Ma, Mengtao; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9488 - 9494
• a: 7.6291 ± 0.0003 Å
• b: 14.2545 ± 0.0005 Å
• c: 17.146 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1864.61 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0333
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No