Crystallography Open Database

Information card for entry 4107557

Preview

Coordinates	4107557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H75 Cl Fe2 N P2 Rh
Calculated formula	C55 H75 Cl Fe2 N P2 Rh
Title of publication	Synthesis of Dihydropyridines and Pyridines from Imines and Alkynes via C-H Activation
Authors of publication	Denise A. Colby; Robert G. Bergman; Jonathan A. Ellman
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	3645 - 3651
a	18.888 ± 0.003 Å
b	13.641 ± 0.002 Å
c	21.276 ± 0.004 Å
α	90°
β	113.504 ± 0.002°
γ	90°
Cell volume	5027 ± 1.4 Å³
Cell temperature	123.2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for all reflections	0.053
Weighted residual factors for all reflections included in the refinement	0.0433
Goodness-of-fit parameter for all reflections included in the refinement	1.27
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.	4107557.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107557.cif
55243	2012-05-04	cif/ Adding structures of 4107557 via cif-deposit CGI script.	4107557.cif