Crystallography Open Database

Information card for entry 7245271

Preview

Coordinates	7245271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 N2 O2
Calculated formula	C22 H24 N2 O2
SMILES	O=C(N(C(=C\CCCC#N)\c1ccc(OC)cc1)Cc1ccccc1)C
Title of publication	Photoredox-catalyzed regio- & stereoselective C(sp2)–H cyanoalkylation of enamides with cycloketone oximes via selective C–C bond cleavage/radical addition cascade
Authors of publication	Guan, Ting; Guo, Jing-Yu; Zhang, Qing-Hong; Xu, Xin-Wen; Yu, Xiao-Yu; Zhang, Yu; Zhao, Kai
Journal of publication	Green Chemistry
Year of publication	2022
Journal volume	24
Journal issue	17
Pages of publication	6524 - 6530
a	14.6248 ± 0.0003 Å
b	11.859 ± 0.0002 Å
c	11.3672 ± 0.0002 Å
α	90°
β	107.271 ± 0.001°
γ	90°
Cell volume	1882.58 ± 0.06 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 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	0.0508
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278415 (current)	2022-10-07	cif/ Updating files of 7245271 Original log message: Adding full bibliography for 7245271.cif.	7245271.cif
277085	2022-08-06	cif/ Adding structures of 7245271 via cif-deposit CGI script.	7245271.cif