Crystallography Open Database

Information card for entry 7155242

Preview

Coordinates	7155242.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(2-aminobiphenyl)(xantphos)palladium(II) mesylate
Formula	C55 H51 Cl6 N O4 P2 Pd S
Calculated formula	C55 H51 Cl6 N O4 P2 Pd S
Title of publication	Competing amination and C-H arylation pathways in Pd/xantphos-catalyzed transformations of binaphthyl triflates: switchable routes to chiral amines and helicene derivatives.
Authors of publication	Ruch, Aaron A.; Handa, Sachin; Kong, Fanji; Nesterov, Vladimir N.; Pahls, Dale R.; Cundari, Thomas R.; Slaughter, LeGrande M
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	34
Pages of publication	8123 - 8140
a	9.601 ± 0.0012 Å
b	14.5905 ± 0.0018 Å
c	20.173 ± 0.003 Å
α	82.894 ± 0.002°
β	81.824 ± 0.002°
γ	77.999 ± 0.002°
Cell volume	2723.1 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1022
Residual factor for significantly intense reflections	0.0808
Weighted residual factors for significantly intense reflections	0.2234
Weighted residual factors for all reflections included in the refinement	0.2373
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
186482 (current)	2016-09-10	cif/ Updating files of 7155241, 7155242, 7155243 Original log message: Adding full bibliography for 7155241--7155243.cif.	7155242.cif
185744	2016-08-11	cif/ Adding structures of 7155241, 7155242, 7155243 via cif-deposit CGI script.	7155242.cif