Crystallography Open Database

Information card for entry 4115637

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Coordinates	4115637.cif
Original paper (by DOI)	HTML

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	17.917 ± 0.002 Å
b	19.423 ± 0.007 Å
c	9.987 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3475.5 ± 1.4 Å³
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	0.038
Weighted residual factors for significantly intense reflections	0.04
Goodness-of-fit parameter for significantly intense reflections	1.27
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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