Crystallography Open Database

Information card for entry 4132362

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Coordinates	4132362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 F4
Calculated formula	C14 H16 F4
SMILES	FC1(CCC(CC1)c1ccccc1)CC(F)(F)F
Title of publication	Radical Carbofluorination of Unactivated Alkenes with Fluoride Ions.
Authors of publication	Liu, Zhonglin; Chen, He; Lv, Ying; Tan, Xinqiang; Shen, Haigen; Yu, Hai-Zhu; Li, Chaozhong
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	19
Pages of publication	6169 - 6175
a	12.9375 ± 0.0002 Å
b	9.6105 ± 0.0002 Å
c	10.1863 ± 0.0002 Å
α	90°
β	97.313 ± 0.001°
γ	90°
Cell volume	1256.22 ± 0.04 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170.01 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	0.0447
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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