Crystallography Open Database

Information card for entry 4113519

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Coordinates	4113519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 O4
Calculated formula	C15 H17 O4
Title of publication	Direct Catalytic Asymmetric Michael Reaction of Hydroxyketones: Asymmetric Zn Catalysis with a Et2Zn/Linked-BINOL Complex
Authors of publication	Shinji Harada; Naoya Kumagai; Tomofumi Kinoshita; Shigeki Matsunaga; Masakatsu Shibasaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	2582 - 2590
a	9.1071 ± 0.0008 Å
b	12.029 ± 0.001 Å
c	12.839 ± 0.001 Å
α	90°
β	98.839 ± 0.008°
γ	90°
Cell volume	1389.8 ± 0.2 Å³
Cell temperature	296.2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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