Crystallography Open Database

Information card for entry 7129502

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Coordinates	7129502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 F6 N O4
Calculated formula	C15 H15 F6 N O4
Title of publication	Photoredox catalyzed C–H trifluoroethylamination of heteroarenes
Authors of publication	Wang, Juan; Liu, Shuai; Huang, Yangen; Xu, Xiu-Hua; Qing, Feng-Ling
Journal of publication	Chemical Communications
Year of publication	2022
a	16.8153 ± 0.0011 Å
b	8.7366 ± 0.0005 Å
c	12.2243 ± 0.0007 Å
α	90°
β	102.655 ± 0.002°
γ	90°
Cell volume	1752.23 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0584
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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