Crystallography Open Database

Information card for entry 4034098

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Coordinates	4034098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 F3 N
Calculated formula	C20 H12 F3 N
Title of publication	Ru-Catalyzed Deoxygenative Regioselective C8-H Arylation of Quinoline <i>N</i>-Oxides.
Authors of publication	Kim, Jinwoo; Kim, Suhyeon; Kim, Dongwook; Chang, Sukbok
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	20
Pages of publication	13150 - 13158
a	10.125 ± 0.002 Å
b	13.337 ± 0.003 Å
c	22.762 ± 0.005 Å
α	86.02 ± 0.03°
β	89.99 ± 0.03°
γ	79.1 ± 0.03°
Cell volume	3010.7 ± 1.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1194
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1728
Weighted residual factors for all reflections included in the refinement	0.1979
Goodness-of-fit parameter for all reflections included in the refinement	0.91
Diffraction radiation wavelength	0.73 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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