Information card for entry 4087892

Structure parameters

• Formula: C40 H42 Cl2 N O5 P Pt S
• Calculated formula: C40 H42 Cl2 N O5 P Pt S
• SMILES: [Pt]12(c3ccc4ccccc4c3[C@H](C)[N]1(C)C)[P@@]1([C@@H]3C[C@@H]([C@H]1C(=C3C)C)[S@@]2(c1ccccc1)=O)c1ccccc1.c1(ccccc1)Cl.Cl(=O)(=O)(=O)[O-]
• Title of publication: Metal Effects on the Asymmetric Cycloaddition Reaction between 3,4-Dimethyl-1-phenylphosphole and Sulfoxide
• Authors of publication: Ma, Mengtao; Zhang, Na; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 5081
• a: 10.1288 ± 0.0002 Å
• b: 10.6698 ± 0.0002 Å
• c: 10.8789 ± 0.0003 Å
• α: 109.302 ± 0.001°
• β: 98.413 ± 0.001°
• γ: 117.491 ± 0.001°
• Cell volume: 919.46 ± 0.04 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0179
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No