Information card for entry 4087890

Structure parameters

• Formula: C16 H19 Cl2 O P Pt S
• Calculated formula: C16 H19 Cl2 O P Pt S
• SMILES: [Pt]1(Cl)(Cl)[P@]2([C@H]3C[C@H]([C@@H]2C(=C3C)C)[S@@]1(C=C)=O)c1ccccc1
• 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: 9.4029 ± 0.0004 Å
• b: 11.0824 ± 0.0005 Å
• c: 17.4783 ± 0.0008 Å
• α: 90°
• β: 91.226 ± 0.003°
• γ: 90°
• Cell volume: 1820.94 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0221
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No