Information card for entry 4085003

Structure parameters

• Formula: C52 H72 Cl4 N2 O2 P2 Pd2
• Calculated formula: C52 H72 Cl4 N2 O2 P2 Pd2
• SMILES: C[P@@]12c3c(C)cc(cc3[C@@H]([Pd]1(Cl)[Cl][Pd]1([P@@]3([C@H](c4ccccc4)C(C)(C)C(=[NH+][C@@H](C(C)C)CO)[C@H]1c1cc(cc(c31)C)C)C)Cl)C(C([C@H]2c1ccccc1)(C)C)=[NH+][C@@H](C(C)C)CO)C.[Cl-]
• Title of publication: Reaction of an Enantiomerically Pure Phosphaalkene-Oxazoline with MeM Nucleophiles (M = Li and MgBr): Stereoselectivity and Noninnocence of the P-Mesityl Substituent
• Authors of publication: Serin, Spencer C.; Patrick, Brian O.; Dake, Gregory R.; Gates, Derek P.
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 141201152116001
• a: 20.139 ± 0.002 Å
• b: 20.139 ± 0.002 Å
• c: 13.7756 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4838.6 ± 0.8 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 7
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No