Crystallography Open Database

Information card for entry 1514422

Preview

Coordinates	1514422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 Co K O4
Calculated formula	C36 H40 Co K O4
Title of publication	Highly chemoselective cobalt-catalyzed biaryl coupling reactions
Authors of publication	Gülak, Samet; Stepanek, Ondrej; Malberg, Jennifer; Rad, Babak Rezaei; Kotora, Martin; Wolf, Robert; Jacobi von Wangelin, Axel
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	2
Pages of publication	776
a	15.4085 ± 0.0003 Å
b	20.2602 ± 0.0003 Å
c	21.0264 ± 0.0004 Å
α	90°
β	102.87 ± 0.002°
γ	90°
Cell volume	6399.1 ± 0.2 Å³
Cell temperature	123.01 ± 0.11 K
Ambient diffraction temperature	123.01 ± 0.11 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0956
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1601
Weighted residual factors for all reflections included in the refinement	0.18
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514422.cif
110126	2014-04-18	cif/ Adding structures of 1514422 via cif-deposit CGI script.	1514422.cif