Crystallography Open Database

Information card for entry 4108961

Preview

Coordinates	4108961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C130 H153 Co4 N8 O9
Calculated formula	C130 H153 Co4 N8 O9
Title of publication	Enantioselective Polymerization of Epoxides: A Highly Active and Selective Catalyst for the Preparation of Stereoregular Polyethers and Enantiopure Epoxides
Authors of publication	Wataru Hirahata; Renee M. Thomas; Emil B. Lobkovsky; Geoffrey W. Coates
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	17658 - 17659
a	11.6797 ± 0.0011 Å
b	32.209 ± 0.003 Å
c	33.262 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	12513 ± 2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0963
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	0.903
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
178835 (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 4/10/89.	4108961.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108961.cif
57467	2012-05-18	cif/ Adding structures of 4108961 via cif-deposit CGI script.	4108961.cif