Information card for entry 7007778

Structure parameters

• Formula: C11 H16 Cl2 N2 O Pd
• Calculated formula: C11 H16 Cl2 N2 O Pd
• SMILES: [Pd]1(Cl)(Cl)[NH]2[C@H](OC[C@@H]2C(C)C)c2[n]1cccc2
• Title of publication: Pyridinyloxazolidines: versatile scaffolds for chiral catalyst construction.
• Authors of publication: Cardile, Steven A.; Jennings, Michael C.; Jones, Nathan D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 39
• Pages of publication: 4672 - 4678
• a: 8.1587 ± 0.0003 Å
• b: 18.8722 ± 0.0011 Å
• c: 9.007 ± 0.0004 Å
• α: 90°
• β: 99.071 ± 0.003°
• γ: 90°
• Cell volume: 1369.49 ± 0.11 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No