Crystallography Open Database

Information card for entry 4120828

4120827 << 4120828 >> 4120829

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Coordinates	4120828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 B2 F8 N6 O Pd
Calculated formula	C32 H27 B2 F8 N6 O0.5 Pd
Title of publication	Palladium(III)-Catalyzed Fluorination of Arylboronic Acid Derivatives
Authors of publication	Anthony R. Mazzotti; Michael G. Campbell; Pingping Tang; Jennifer M. Murphy; Tobias Ritter
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	14012 - 14015
a	12.1099 ± 0.0007 Å
b	12.6815 ± 0.0008 Å
c	20.7558 ± 0.0013 Å
α	90°
β	90.08 ± 0.001°
γ	90°
Cell volume	3187.5 ± 0.3 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
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	0.0281
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.0602
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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