Crystallography Open Database

Information card for entry 4112701

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Coordinates	4112701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H32 Cl4 N2 O2 Zn
Calculated formula	C31 H34 Cl4 N2 O2 Zn
Title of publication	Enantio- and Diastereoselective, Stereospecific Mannich-Type Reactions in Water
Authors of publication	Tomoaki Hamada; Kei Manabe; Shū Kobayashi
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	7768 - 7769
a	11.4952 ± 0.0004 Å
b	11.4952 ± 0.0004 Å
c	47.84 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6321.6 ± 0.4 Å³
Cell temperature	296.2 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.2325
Goodness-of-fit parameter for all reflections included in the refinement	2.012
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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