Crystallography Open Database

Information card for entry 7129696

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Coordinates	7129696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H4 F8
Calculated formula	C13 H4 F8
Title of publication	Pd/Cu bimetallic catalysis to access highly fluorinated biaryls from aryl halides and fluorinated arenes
Authors of publication	Ponce-de-León, Jaime; Marcos-Ayuso, Guillermo; Casares, Juan A.; Espinet, Pablo
Journal of publication	Chemical Communications
Year of publication	2022
a	14.5626 ± 0.0017 Å
b	5.8525 ± 0.0007 Å
c	14.0383 ± 0.0011 Å
α	90°
β	93.599 ± 0.01°
γ	90°
Cell volume	1194.1 ± 0.2 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1408
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1182
Weighted residual factors for all reflections included in the refinement	0.1764
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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

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