Information card for entry 1504478

Structure parameters

• Formula: C59 H49 Cl3 O2 P2 Pt S
• Calculated formula: C59 H49 Cl3 O2 P2 Pt S
• SMILES: [Pt](C(=C(Sc1ccc(Cl)cc1)c1ccccc1)C(=O)OCC)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.Clc1ccccc1
• Title of publication: Platinum-catalyzed regio- and stereoselective arylthiolation of internal alkynes.
• Authors of publication: Yamashita, Fumikazu; Kuniyasu, Hitoshi; Terao, Jun; Kambe, Nobuaki
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 101 - 104
• a: 12.1258 ± 0.0002 Å
• b: 12.6152 ± 0.0003 Å
• c: 34.5793 ± 0.0007 Å
• α: 90°
• β: 100.576 ± 0.0007°
• γ: 90°
• Cell volume: 5199.72 ± 0.18 ų
• Cell temperature: 273.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No