Crystallography Open Database

Information card for entry 7112848

Preview

Coordinates	7112848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H38 F6 N2 O7 Pd2
Calculated formula	C31 H38 F6 N2 O7 Pd2
Title of publication	Remote amide-directed palladium-catalyzed benzylic C-H amination with N-fluorobenzenesulfonimide.
Authors of publication	Xiong, Tao; Li, Yan; Lv, Yunhe; Zhang, Qian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	36
Pages of publication	6831 - 6833
a	10.9301 ± 0.0006 Å
b	16.8303 ± 0.0008 Å
c	40.821 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7509.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1416
Residual factor for significantly intense reflections	0.0746
Weighted residual factors for significantly intense reflections	0.1841
Weighted residual factors for all reflections included in the refinement	0.2204
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180242 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28.	7112848.cif
112121	2014-04-29	cif/ Adding structures of 7112848 via cif-deposit CGI script.	7112848.cif