Crystallography Open Database

Information card for entry 4513756

Preview

Coordinates	4513756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H5 F5
Calculated formula	C12 H5 F5
SMILES	c1(c2c(c(F)c(F)c(F)c2F)F)ccccc1
Title of publication	Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis
Authors of publication	Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard
Journal of publication	ACS Catalysis
Year of publication	2016
Journal volume	6
Journal issue	1
Pages of publication	369
a	5.80768 ± 0.00018 Å
b	20.9642 ± 0.0005 Å
c	7.68611 ± 0.00019 Å
α	90°
β	90°
γ	90°
Cell volume	935.81 ± 0.04 Å³
Cell temperature	123.01 ± 0.1 K
Ambient diffraction temperature	123.01 ± 0.1 K
Number of distinct elements	3
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0235
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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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