Information card for entry 4087414

Structure parameters

• Formula: C30 H26 Au O4 P S
• Calculated formula: C30 H26 Au O4 P S
• SMILES: [Au](Sc1ccccc1)C(=C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)\C(=O)OC)\C(=O)OC
• Title of publication: Regioselective Cis Insertion of DMAD into Au‒P Bonds: Effect of Auxiliary Ligands on the Reaction Mechanism
• Authors of publication: Kuniyasu, Hitoshi; Nakajima, Takuya; Tamaki, Takashi; Iwasaki, Takanori; Kambe, Nobuaki
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1373
• a: 7.8079 ± 0.0005 Å
• b: 16.5318 ± 0.001 Å
• c: 10.5919 ± 0.0007 Å
• α: 90°
• β: 91.8926 ± 0.0018°
• γ: 90°
• Cell volume: 1366.44 ± 0.15 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No