Crystallography Open Database

Information card for entry 4111275

Preview

Coordinates	4111275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H29 N O4
Calculated formula	C15 H29 N O4
Title of publication	Asymmetric Induction in Hydrogen-Mediated Reductive Aldol Additions to α-Amino Aldehydes Catalyzed by Rhodium: Selective Formation of syn-Stereotriads Directed by Intramolecular Hydrogen-Bonding
Authors of publication	Cheol-Kyu Jung; Michael J. Krische
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	17051 - 17056
a	5.1753 ± 0.0005 Å
b	30.941 ± 0.002 Å
c	10.848 ± 0.001 Å
α	90°
β	90.375 ± 0.004°
γ	90°
Cell volume	1737 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1536
Residual factor for significantly intense reflections	0.1065
Weighted residual factors for significantly intense reflections	0.1682
Weighted residual factors for all reflections included in the refinement	0.1845
Goodness-of-fit parameter for all reflections included in the refinement	1.803
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
178883 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/12.	4111275.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111275.cif
60800	2012-06-18	cif/ Adding structures of 4111275 via cif-deposit CGI script.	4111275.cif