Crystallography Open Database

Information card for entry 4129350

Preview

Coordinates	4129350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H45 B Fe O2 P4
Calculated formula	C18 H45 B Fe O2 P4
Title of publication	Iron-catalyzed C-H borylation of arenes.
Authors of publication	Dombray, Thomas; Werncke, C. Gunnar; Jiang, Shi; Grellier, Mary; Vendier, Laure; Bontemps, Sébastien; Sortais, Jean-Baptiste; Sabo-Etienne, Sylviane; Darcel, Christophe
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	12
Pages of publication	4062 - 4065
a	15.8389 ± 0.0012 Å
b	10.474 ± 0.0008 Å
c	31.533 ± 0.003 Å
α	90°
β	101.18 ± 0.002°
γ	90°
Cell volume	5131.9 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1609
Weighted residual factors for all reflections included in the refinement	0.1612
Goodness-of-fit parameter for all reflections included in the refinement	1.256
Diffraction radiation probe	x-ray
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
240085 (current)	2019-11-25	cif/ Adding structures of 4129350 via cif-deposit CGI script.	4129350.cif