Information card for entry 4115634

Structure parameters

• Formula: C40 H41 Fe N2 O3 P
• Calculated formula: C160 H164 Fe4 N8 O12 P4
• Title of publication: Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands
• Authors of publication: Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 7471 - 7472
• a: 13.701 ± 0.003 Å
• b: 19.894 ± 0.002 Å
• c: 13.366 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3643.1 ± 1.2 ų
• Cell temperature: 20 K
• Ambient diffraction temperature: 20 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for significantly intense reflections: 1.44
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No