Information card for entry 4104702

Structure parameters

• Formula: C30 H27 N2 O P
• Calculated formula: C30 H27 N2 O P
• SMILES: P(=O)(N[C@@H]([C@](CC=C)(C#N)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Nucleophile Generation via Decarboxylation: Asymmetric Construction of Contiguous Trisubstituted and Quaternary Stereocenters through a Cu(I)-Catalyzed Decarboxylative Mannich-Type Reaction
• Authors of publication: Liang Yin; Motomu Kanai; Masakatsu Shibasaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 9610 - 9611
• a: 10.6583 ± 0.0004 Å
• b: 9.8999 ± 0.0004 Å
• c: 12.4412 ± 0.0007 Å
• α: 90°
• β: 109.694 ± 0.0019°
• γ: 90°
• Cell volume: 1235.96 ± 0.1 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No