Crystallography Open Database

Information card for entry 7160150

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Coordinates	7160150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H26 Cl2 F12 N4 Pd2
Calculated formula	C46 H26 Cl2 F12 N4 Pd2
Title of publication	Pyrazole based palladacycle for the synthesis of β-aminoketones by redox coupling of allyl alcohols and anilines
Authors of publication	Samser, Shaikh; Biswal, Priyabrata; Mamidala, Ramesh; Meher, Sushanta K.; Venkatasubbaiah, Krishnan
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
a	27.7832 ± 0.0006 Å
b	27.7832 ± 0.0006 Å
c	15.2098 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	10167.6 ± 0.4 Å³
Cell temperature	107 ± 10 K
Ambient diffraction temperature	107 ± 10 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1038
Residual factor for significantly intense reflections	0.1006
Weighted residual factors for significantly intense reflections	0.2893
Weighted residual factors for all reflections included in the refinement	0.2945
Goodness-of-fit parameter for all reflections included in the refinement	1.338
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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