Crystallography Open Database

Information card for entry 4132908

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Coordinates	4132908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 F3 N4 O2
Calculated formula	C16 H15 F3 N4 O2
Title of publication	Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.
Authors of publication	Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	36
Pages of publication	11487 - 11494
a	13.695 ± 0.0007 Å
b	7.7192 ± 0.0004 Å
c	15.7441 ± 0.0007 Å
α	90°
β	103.099 ± 0.002°
γ	90°
Cell volume	1621.07 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.13
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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