Information card for entry 4085005

Structure parameters

• Formula: C27 H38 Cl4 N O P Pd
• Calculated formula: C27 H38 Cl4 N O P Pd
• 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: 9.9103 ± 0.0019 Å
• b: 12.603 ± 0.003 Å
• c: 12.636 ± 0.003 Å
• α: 90°
• β: 102.368 ± 0.004°
• γ: 90°
• Cell volume: 1541.6 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No