Information card for entry 7114218

Structure parameters

• Formula: C37 H33 Cl5 N O P Pd
• Calculated formula: C37 H33 Cl5 N O P Pd
• SMILES: [Pd]1(Cl)(Cl)[P](c2c([C@@H]3OC([C@H]4[N]13CCC4)(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1.ClC(Cl)Cl
• Title of publication: A novel and efficient chiral palladium‒phosphinooxazolidine catalyst for the enantioselective Diels‒Alder reactionElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/cc/b2/b201625g/
• Authors of publication: Nakano, Hiroto; Okuyama, Yuko; Suzuki, Yuichiro; Fujita, Reiko; Kabuto, Chizuko
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 1146
• a: 10.841 ± 0.003 Å
• b: 12.86 ± 0.003 Å
• c: 13.625 ± 0.003 Å
• α: 100.916 ± 0.003°
• β: 96.331 ± 0.003°
• γ: 104.576 ± 0.003°
• Cell volume: 1780 ± 0.8 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections included in the refinement: 0.0334
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No