Crystallography Open Database

Information card for entry 4033755

Preview

Coordinates	4033755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 F N3 O2
Calculated formula	C25 H20 F N3 O2
SMILES	Fc1ccc(c2nc(NCc3ccc(C)cc3)c(N(=O)=O)c(c2)c2ccccc2)cc1
Title of publication	Highly Selective Synthesis of 2-Amino-4,6-diarylpyridine Derivatives by the Cascade Reaction of 1,1-Enediamines with α,β-Unsaturated Ketones.
Authors of publication	Luo, Qin; Huang, Rong; Xiao, Qiang; Yao, Yuan; Lin, Jun; Yan, Sheng-Jiao
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	4
Pages of publication	1999 - 2011
a	15.117 ± 0.002 Å
b	7.2213 ± 0.0011 Å
c	19.403 ± 0.003 Å
α	90°
β	96.412 ± 0.002°
γ	90°
Cell volume	2104.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	0.924
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
222330 (current)	2019-11-04	cif/ Adding structures of 4033755 via cif-deposit CGI script.	4033755.cif