Information card for entry 4105102

Structure parameters

• Formula: C44 H39 Cl2 F3 O4 P2 Pt S
• Calculated formula: C44 H39 Cl2 F3 O4 P2 Pt S
• SMILES: [Pt]123([P](c4cccc5c4Oc4c(C5(C)C)cccc4[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[CH](=[CH2]2)C3.ClCCl.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Platinum-Catalyzed Direct Amination of Allylic Alcohols under Mild Conditions: Ligand and Microwave Effects, Substrate Scope, and Mechanistic Study
• Authors of publication: Takashi Ohshima; Yoshiki Miyamoto; Junji Ipposhi; Yasuhito Nakahara; Masaru Utsunomiya; Kazushi Mashima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 14317 - 14328
• a: 9.188 ± 0.003 Å
• b: 18.326 ± 0.005 Å
• c: 25.212 ± 0.007 Å
• α: 90°
• β: 98.618 ± 0.005°
• γ: 90°
• Cell volume: 4197 ± 2 ų
• Cell temperature: 113.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No