Information card for entry 1543308

Structure parameters

• Formula: C61 H58 Cu F6 N2 O P3
• Calculated formula: C61 H58 Cu F6 N2 O P3
• SMILES: [Cu]12([P](c3cc(cc(c3)C)C)(c3ccc4c(c3c3c([P]1(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)ccc1c3cccc1)cccc4)c1cc(cc(c1)C)C)[O]=C(N1c3[n]2cccc3CC1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.
• Authors of publication: Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 2391 - 2394
• a: 12.8125 ± 0.0002 Å
• b: 15.5638 ± 0.0003 Å
• c: 16.7344 ± 0.0003 Å
• α: 90°
• β: 110.994 ± 0.008°
• γ: 90°
• Cell volume: 3115.51 ± 0.19 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No