Crystallography Open Database

Information card for entry 1553122

Preview

Coordinates	1553122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 F3 N
Calculated formula	C19 H20 F3 N
Title of publication	Enantioselective synthesis of trifluoromethyl substituted piperidines with multiple stereogenic centers via hydrogenation of pyridinium hydrochlorides
Authors of publication	Chen, Mu-Wang; Ye, Zhi-Shi; Chen, Zhang-Pei; Wu, Bo; Zhou, Yong-Gui
Journal of publication	Organic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	5
Pages of publication	586
a	10.4422 ± 0.0003 Å
b	33.2582 ± 0.001 Å
c	10.4466 ± 0.0003 Å
α	90°
β	114.77 ± 0.002°
γ	90°
Cell volume	3294.2 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1075
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.2153
Weighted residual factors for all reflections included in the refinement	0.2857
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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