Crystallography Open Database

Information card for entry 4115608

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Coordinates	4115608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H43 F6 Fe N O P Pd Sb
Calculated formula	C88 H86 F12 Fe2 N2 O2 P2 Pd2 Sb2
Title of publication	Importance of Planar Chirality in Chiral Catalysts with Three Chiral Elements: The Role of Planar Chirality in 2'-Substituted 1,1'-P,N-Ferrocene Ligands on the Enantioselectivity in Pd-Catalyzed Allylic Substitution
Authors of publication	Wei-Ping Deng; Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia; Jie Sun
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	6508 - 6519
a	10.296 ± 0.001 Å
b	20.146 ± 0.002 Å
c	10.392 ± 0.001 Å
α	90°
β	101.86 ± 0.01°
γ	90°
Cell volume	2109.5 ± 0.4 Å³
Cell temperature	20 K
Ambient diffraction temperature	20 K
Number of distinct elements	9
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	0.032
Weighted residual factors for significantly intense reflections	0.037
Goodness-of-fit parameter for significantly intense reflections	1.26
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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