Crystallography Open Database

Information card for entry 4028337

Preview

Coordinates	4028337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 N O4
Calculated formula	C19 H17 N O4
Title of publication	Palladium-Catalyzed Intermolecular Aminoacetoxylation of Alkenes and the Influence of PhI(OAc)2 on Aminopalladation Stereoselectivity
Authors of publication	Claudio Martínez; Yichen Wu; Adam B. Weinstein; Shannon S. Stahl; Guosheng Liu; Kilian Muñiz
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	6309 - 6315
a	13.6406 ± 0.0018 Å
b	10.3114 ± 0.0013 Å
c	11.6169 ± 0.0016 Å
α	90°
β	94.785 ± 0.004°
γ	90°
Cell volume	1628.3 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1438
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.183
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4028337.html