Crystallography Open Database

Information card for entry 4131146

Preview

Coordinates	4131146.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	SY4-032
Chemical name	hartwig121
Formula	C20 H34 Ag O3 P
Calculated formula	C20 H34 Ag O3 P
Title of publication	Palladium-Catalyzed, Site-Selective Direct Allylation of Aryl C-H Bonds by Silver-Mediated C-H Activation: A Synthetic and Mechanistic Investigation.
Authors of publication	Lee, Sarah Yunmi; Hartwig, John F.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	46
Pages of publication	15278 - 15284
a	17.5862 ± 0.0005 Å
b	10.1733 ± 0.0003 Å
c	24.2763 ± 0.0008 Å
α	90°
β	96.715 ± 0.002°
γ	90°
Cell volume	4313.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0695
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
241429 (current)	2019-11-25	cif/ Adding structures of 4131146 via cif-deposit CGI script.	4131146.cif