Crystallography Open Database

Information card for entry 4028338

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Coordinates	4028338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 N O5
Calculated formula	C20 H19 N O5
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	8.7085 ± 0.0016 Å
b	12.512 ± 0.002 Å
c	31.644 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	3448 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1396
Residual factor for significantly intense reflections	0.1143
Weighted residual factors for significantly intense reflections	0.226
Weighted residual factors for all reflections included in the refinement	0.2346
Goodness-of-fit parameter for all reflections included in the refinement	1.285
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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