Information card for entry 7007779

Structure parameters

• Formula: C17 H19 Cl5 N2 O Pd
• Calculated formula: C17 H19 Cl5 N2 O Pd
• SMILES: [Pd]1(Cl)(Cl)[N]2([C@@H](O[C@@H]([C@@H]2C)c2ccccc2)c2[n]1cccc2)C.C(Cl)(Cl)Cl
• 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: 8.9866 ± 0.0002 Å
• b: 14.0192 ± 0.0004 Å
• c: 17.0694 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2150.49 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0509
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No