Crystallography Open Database

Information card for entry 4102774

Preview

Coordinates	4102774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H52 B Cl F24 N2 Pd
Calculated formula	C68 H52 B Cl F24 N2 Pd
Title of publication	Palladium-Catalyzed Dimerization of Vinyl Ethers to Acetals
Authors of publication	Changle Chen; Richard F. Jordan
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	10254 - 10255
a	13.226 ± 0.002 Å
b	14.275 ± 0.002 Å
c	18.644 ± 0.003 Å
α	82.897 ± 0.003°
β	84.533 ± 0.003°
γ	77.795 ± 0.002°
Cell volume	3405.4 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0861
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1667
Weighted residual factors for all reflections included in the refinement	0.1777
Goodness-of-fit parameter for all reflections included in the refinement	0.932
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
178773 (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 4/10/27.	4102774.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102774.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102774.cif
25691	2011-09-13	../uploads/cif-deposit/cod/cif Adding structures of 4102774 via cif-deposit CGI script.	4102774.cif