Information card for entry 1504295

Structure parameters

• Formula: C16.5 H19 Cl3 N2 O Pd
• Calculated formula: C16.5 H19 Cl3 N2 O Pd
• SMILES: c12ccccc1ccc1C3=[N]([Pd](Cl)(Cl)[n]21)[C@H](CO3)C(C)(C)C.C(Cl)Cl
• Title of publication: Pd(II)/(t)Bu-quinolineoxazoline: an air-stable and modular chiral catalyst system for enantioselective oxidative cascade cyclization.
• Authors of publication: He, Wei; Yip, Kai-Tai; Zhu, Nian-Yong; Yang, Dan
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 24
• Pages of publication: 5626 - 5628
• a: 9.712 ± 0.002 Å
• b: 20.705 ± 0.004 Å
• c: 9.816 ± 0.002 Å
• α: 90°
• β: 108.77 ± 0.02°
• γ: 90°
• Cell volume: 1868.9 ± 0.7 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 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: 0.0364
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No