Information card for entry 4021960

Structure parameters

• Formula: C29 H26 N O2 P
• Calculated formula: C29 N O2 P
• SMILES: P(c1c(N2c3c(cccc3)CC2)c(ccc1)COC(=O)C)(c1ccccc1)c1ccccc1
• 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: 18.401 ± 0.006 Å
• b: 35.757 ± 0.011 Å
• c: 7.264 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4779 ± 3 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.166
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.132
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections: 2.514
• Goodness-of-fit parameter for significantly intense reflections: 1.61
• Goodness-of-fit parameter for all reflections included in the refinement: 1.61
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No