Information card for entry 4021961

Structure parameters

• Formula: C27 H24 N O P
• Calculated formula: C27 H24 N O P
• SMILES: P(c1ccccc1)(c1ccccc1)c1cccc(c1N1c2c(CC1)cccc2)CO
• 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: 32.489 ± 0.013 Å
• b: 8.345 ± 0.005 Å
• c: 21.857 ± 0.008 Å
• α: 90°
• β: 132.24 ± 0.03°
• γ: 90°
• Cell volume: 4387 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No