Crystallography Open Database

Information card for entry 7160151

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Coordinates	7160151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H60 F12 N4 O10 P2 Pd2
Calculated formula	C90 H60 F12 N4 O10 P2 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	14.2159 ± 0.0005 Å
b	19.678 ± 0.0004 Å
c	15.4208 ± 0.0005 Å
α	90°
β	115.902 ± 0.004°
γ	90°
Cell volume	3880.5 ± 0.2 Å³
Cell temperature	112.2 ± 0.4 K
Ambient diffraction temperature	112.2 ± 0.4 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1108
Residual factor for significantly intense reflections	0.0922
Weighted residual factors for significantly intense reflections	0.225
Weighted residual factors for all reflections included in the refinement	0.2359
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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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