Crystallography Open Database

Information card for entry 1570022

Preview

Coordinates	1570022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Cu N4 O2
Calculated formula	C24 H18 Cu N4 O2
SMILES	[Cu]12([n]3ccccc3C(=O)N1c1ccccc1)N(C(=O)c1[n]2cccc1)c1ccccc1
Title of publication	Coordinating activation strategy enables 1,2-alkylamidation of alkynes.
Authors of publication	Ren, Jing; Xu, Junhua; Kong, Xiangxiang; Li, Jinlong; Li, Kaizhi
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	41
Pages of publication	11466 - 11473
a	10.225 ± 0.002 Å
b	18.985 ± 0.004 Å
c	10.7936 ± 0.0018 Å
α	90°
β	104.967 ± 0.006°
γ	90°
Cell volume	2024.2 ± 0.7 Å³
Cell temperature	286 ± 2 K
Ambient diffraction temperature	286 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	0.037
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
287296 (current)	2023-11-06	cif/ Updating files of 1570022 Original log message: Adding full bibliography for 1570022.cif.	1570022.cif
286607	2023-10-01	cif/ Adding structures of 1570022 via cif-deposit CGI script.	1570022.cif