Crystallography Open Database

Information card for entry 4513755

Preview

Coordinates	4513755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H5 F7
Calculated formula	C13 H5 F7
SMILES	Fc1c(c(F)c(F)c(c1F)C(F)(F)F)c1ccccc1
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	5.92801 ± 0.00016 Å
b	7.5738 ± 0.0002 Å
c	23.6364 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1061.22 ± 0.05 Å³
Cell temperature	123.01 ± 0.1 K
Ambient diffraction temperature	123.01 ± 0.1 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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

Version history

Revision	Date	Message	Files
175761 (current)	2016-02-04	cif/ Updating files of 4513753, 4513754, 4513755, 4513756 Original log message: Adding full bibliography for 4513753--4513756.cif.	4513755.cif
171794	2016-01-01	cif/ Adding structures of 4513755 via cif-deposit CGI script.	4513755.cif