Information card for entry 4087891

Structure parameters

• Formula: C21 H23 Cl4 O P Pt S
• Calculated formula: C21 H23 Cl4 O P Pt S
• SMILES: [Pt]1(Cl)(Cl)[P@]2([C@H]3[C@H](C[C@@H]2C(=C3C)C)[S@]1(c1ccccc1)=O)c1ccccc1.C(Cl)Cl
• 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: 10.2265 ± 0.0005 Å
• b: 14.4513 ± 0.0007 Å
• c: 16.0003 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2364.62 ± 0.19 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• 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: 0.0186
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No