Crystallography Open Database

Information card for entry 4112754

Preview

Coordinates	4112754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H28 N O4 P
Calculated formula	C29 H26 N O4 P
Title of publication	Direct Catalytic Asymmetric Mannich-type Reaction of Hydroxyketone Using a Et2Zn/Linked-BINOL Complex: Synthesis of Either anti- or syn-β-Amino Alcohols
Authors of publication	Shigeki Matsunaga; Takamasa Yoshida; Hiroyuki Morimoto; Naoya Kumagai; Masakatsu Shibasaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	8777 - 8785
a	11.196 ± 0.001 Å
b	8.7892 ± 0.0007 Å
c	13.566 ± 0.001 Å
α	90°
β	108.307 ± 0.002°
γ	90°
Cell volume	1267.38 ± 0.18 Å³
Cell temperature	285.2 K
Number of distinct elements	5
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	0.0386
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	0.737
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4112754.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112754.cif
65167	2012-09-05	cif/ Adding structures of 4112754 via cif-deposit CGI script.	4112754.cif