Information card for entry 4087515

Structure parameters

• Formula: C28 H24 Au O2 P S
• Calculated formula: C28 H24 Au O2 P S
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)C(=C\C(=O)OC)\Sc1ccccc1
• Title of publication: Carboxylic Group-Assisted Proton Transfer in Gold-Mediated Thiolation of Alkynes
• Authors of publication: Zalesskiy, Sergey S.; Khrustalev, Victor N.; Kostukovich, Alexandr Yu.; Ananikov, Valentine P.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 21
• Pages of publication: 5214
• a: 20.505 ± 0.0008 Å
• b: 8.8115 ± 0.0003 Å
• c: 13.7368 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2481.96 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No