Crystallography Open Database

Information card for entry 4106314

Preview

Coordinates	4106314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H36 Cl Cu F5 K N6 O3
Calculated formula	C20 H36 Cl Cu F5 K N6 O3
Title of publication	Copper-Catalyzed Arylation of 1H-Perfluoroalkanes
Authors of publication	Ilya Popov; Sergey Lindeman; Olafs Daugulis
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	9286 - 9289
a	26.038 ± 0.004 Å
b	26.038 ± 0.004 Å
c	21.702 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	12742 ± 4 Å³
Cell temperature	223.15 K
Ambient diffraction temperature	223.15 K
Number of distinct elements	8
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1362
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
178809 (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 4/10/63.	4106314.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106314.cif
53112	2012-04-17	cif/ Adding structures of 4106314 via cif-deposit CGI script.	4106314.cif