Crystallography Open Database

Information card for entry 4113088

Preview

Coordinates	4113088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 Co O4 P
Calculated formula	C23 H18 Co O4 P
SMILES	[Co]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C(=O)C)(C#[O])(C#[O])C#[O]
Title of publication	Mechanistic Studies of the Copolymerization Reaction of Aziridines and Carbon Monoxide to Produce Poly-β-peptoids
Authors of publication	Donald J. Darensbourg; Andrea L. Phelps; Nathalie Le Gall; Li Jia
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	13808 - 13815
a	9.41 ± 0.03 Å
b	9.43 ± 0.03 Å
c	11.98 ± 0.03 Å
α	88.45 ± 0.05°
β	76.11 ± 0.05°
γ	84.76 ± 0.05°
Cell volume	1028 ± 5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0925
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.2387
Weighted residual factors for all reflections included in the refinement	0.2645
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178901 (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 4/11/30.	4113088.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113088.cif
65508	2012-09-05	cif/ Adding structures of 4113088 via cif-deposit CGI script.	4113088.cif