Information card for entry 4087889

Structure parameters

• Formula: C34 H37 Cl N O5 P Pt S
• Calculated formula: C34 H37 Cl N O5 P Pt S
• SMILES: [Pt]12(c3ccc4ccccc4c3[C@@H](C)[N]1(C)C)[P@]1(c3ccccc3)[C@H]3C(=C(C)[C@@H]1[C@H](C3)[S@]2(c1ccccc1)=O)C.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: 9.9305 ± 0.0002 Å
• b: 14.6373 ± 0.0003 Å
• c: 22.0322 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3202.51 ± 0.12 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No