Crystallography Open Database

Information card for entry 7151728

Preview

Coordinates	7151728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H52 Cl N O11
Calculated formula	C37 H52 Cl N O11
Title of publication	Highly efficient asymmetric vinylogous Mannich reaction induced by O-pivaloylated d-galactosylamine as the chiral auxiliary.
Authors of publication	Yu, Jipan; Miao, Zhiwei; Chen, Ruyu
Journal of publication	Organic & biomolecular chemistry
Year of publication	2011
Journal volume	9
Journal issue	6
Pages of publication	1756 - 1762
a	9.772 ± 0.002 Å
b	17.25 ± 0.004 Å
c	11.937 ± 0.002 Å
α	90°
β	97.6 ± 0.03°
γ	90°
Cell volume	1994.5 ± 0.7 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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 all reflections	0.0655
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1373
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180303 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/17.	7151728.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151728.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151728.cif
15009	2011-03-12	../uploads/cif-deposit/cod/cif Adding structures of 7151728 via cif-deposit CGI script.	7151728.cif