Information card for entry 4021958

Structure parameters

• Formula: C27 H24 N P
• Calculated formula: C27 N P
• SMILES: P(c1c(N2c3c(CC2)cccc3)c(ccc1)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: 11.445 ± 0.003 Å
• b: 14.105 ± 0.004 Å
• c: 14.798 ± 0.008 Å
• α: 90°
• β: 113.59 ± 0.08°
• γ: 90°
• Cell volume: 2189.3 ± 1.5 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections: 1.853
• Goodness-of-fit parameter for significantly intense reflections: 0.941
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No