Crystallography Open Database

Information card for entry 7231651

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Coordinates	7231651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 F3 N O3
Calculated formula	C20 H22 F3 N O3
Title of publication	Metal-free photocatalytic trifluoromethylative pyridylation of unactivated alkenes
Authors of publication	He, Yu-Tao; Kang, Dahye; Kim, Inwon; Hong, Sungwoo
Journal of publication	Green Chemistry
Year of publication	2018
Journal volume	20
Journal issue	22
Pages of publication	5209
a	8.318 ± 0.0017 Å
b	11.515 ± 0.002 Å
c	11.539 ± 0.002 Å
α	61.6 ± 0.03°
β	78.05 ± 0.03°
γ	75.08 ± 0.03°
Cell volume	934.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1866
Weighted residual factors for all reflections included in the refinement	0.1927
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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