Crystallography Open Database

Information card for entry 7160488

Preview

Coordinates	7160488.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 N2 O4
Calculated formula	C21 N2 O4
Title of publication	A copper-catalyzed tandem cyclization reaction of <i>N</i>-acyl enamines and electron-deficient alkynes: direct synthesis of alkynyl substituted pyridines.
Authors of publication	Gao, Ying; Peng, Ju-Yin; Zhang, Yu-Na; Zhao, Xiao-Liang; Zhao, Yu-Long
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	18
Pages of publication	4441 - 4445
a	8.6618 ± 0.0018 Å
b	9.7333 ± 0.0019 Å
c	12.207 ± 0.003 Å
α	96.9 ± 0.01°
β	104.419 ± 0.011°
γ	106.168 ± 0.01°
Cell volume	937.2 ± 0.4 Å³
Cell temperature	278 ± 2 K
Ambient diffraction temperature	278.4 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1056
Residual factor for significantly intense reflections	0.0916
Weighted residual factors for significantly intense reflections	0.2639
Weighted residual factors for all reflections included in the refinement	0.2858
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301166 (current)	2025-07-06	cif/ Updating files of 7160488 Original log message: Adding full bibliography for 7160488.cif.	7160488.cif
298733	2025-04-05	cif/ Adding structures of 7160488 via cif-deposit CGI script.	7160488.cif