Crystallography Open Database

Information card for entry 7129693

Preview

Coordinates	7129693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H3 F7
Calculated formula	C12 H3 F7
SMILES	Fc1c(c2c(F)c(F)ccc2)c(F)c(F)c(F)c1F
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	7.359 ± 0.0009 Å
b	7.5748 ± 0.0009 Å
c	9.8836 ± 0.001 Å
α	75.019 ± 0.009°
β	79.707 ± 0.009°
γ	78.279 ± 0.01°
Cell volume	516.46 ± 0.11 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.116
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1472
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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