Crystallography Open Database

Information card for entry 1529882

Preview

Coordinates	1529882.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H19 F3 N2
Calculated formula	C27 H19 F3 N2
SMILES	FC(F)(F)c1ccc(c2cc(nc(n3ccc4c3cccc4)c2C)c2ccccc2)cc1
Title of publication	Base-Promoted N-Pyridylation of Heteroarenes Using N-Propargyl Enaminones as Equivalents of Pyridine Scaffolds.
Authors of publication	Cheng, Guolin; Weng, Yunxiang; Yang, Xifa; Cui, Xiuling
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	15
Pages of publication	3790 - 3793
a	7.4962 ± 0.0003 Å
b	17.6328 ± 0.0008 Å
c	16.4671 ± 0.0007 Å
α	90°
β	93.865 ± 0.004°
γ	90°
Cell volume	2171.65 ± 0.16 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	4
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	0.0664
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1453
Weighted residual factors for all reflections included in the refinement	0.1602
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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