Crystallography Open Database

Information card for entry 1555575

Preview

Coordinates	1555575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 F3 N2
Calculated formula	C16 H15 F3 N2
SMILES	c1(ccc2c(n1)N[C@H](C)CC2)c1ccc(C(F)(F)F)cc1
Title of publication	Ruthenium-Catalyzed Enantioselective Hydrogenation of 1,8-Naphthyridine Derivatives.
Authors of publication	Ma, Wenpeng; Chen, Fei; Liu, Youran; He, Yan-Mei; Fan, Qing-Hua
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	11
Pages of publication	2730 - 2733
a	6.37164 ± 0.00008 Å
b	8.13751 ± 0.00015 Å
c	26.6535 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1381.96 ± 0.03 Å³
Cell temperature	180 ± 0.1 K
Ambient diffraction temperature	180 ± 0.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1555575.html