Crystallography Open Database

Information card for entry 4109452

Preview

Coordinates	4109452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H31 P
Calculated formula	C22 H31 P
Title of publication	Palladium-Catalyzed Asymmetric Phosphination. Scope, Mechanism, and Origin of Enantioselectivity
Authors of publication	Natalia F. Blank; Jillian R. Moncarz; Tim J. Brunker; Corina Scriban; Brian J. Anderson; Omar Amir; David S. Glueck; Lev N. Zakharov; James A. Golen; Christopher D. Incarvito; Arnold L. Rheingold
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	6847 - 6858
a	9.3903 ± 0.0014 Å
b	12.4608 ± 0.0019 Å
c	16.996 ± 0.003 Å
α	90°
β	93.718 ± 0.003°
γ	90°
Cell volume	1984.5 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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 all reflections	0.1052
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1836
Weighted residual factors for all reflections included in the refinement	0.2056
Goodness-of-fit parameter for all reflections included in the refinement	1.224
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
178840 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/94.	4109452.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109452.cif
58226	2012-05-25	cif/ Adding structures of 4109452 via cif-deposit CGI script.	4109452.cif