Information card for entry 4021962

Structure parameters

• Formula: C39 H40 Cl N2 O2 P Pd
• Calculated formula: C39 H40 Cl N2 O2 P Pd
• SMILES: [Pd]1(Cl)([P](c2ccccc2)(c2ccccc2)c2c(N3CCc4c3cccc4)c(ccc2)COC(=O)C)[N]([C@H](c2ccccc12)C)(C)C
• Title of publication: Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis
• Authors of publication: Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 7346 - 7353
• a: 39.149 ± 0.008 Å
• b: 9.736 ± 0.002 Å
• c: 9.566 ± 0.002 Å
• α: 90°
• β: 96.414 ± 0.005°
• γ: 90°
• Cell volume: 3623.3 ± 1.3 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 4.209
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No