Crystallography Open Database

Information card for entry 7244843

Preview

Coordinates	7244843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H25 N O4
Calculated formula	C19 H25 N O4
Title of publication	Transition-metal-free regioselective and stereoselective C(sp2)–C(sp3) coupling of enamides with ethers or alkanes via photoredox-catalyzed cross-dehydrogenative coupling reactions
Authors of publication	Tao, Ji-Yu; Wang, Ying-Xue; Zhang, Qing-Hong; Ni, Kun; Zhu, Tong-Hao; Zhao, Kai
Journal of publication	Green Chemistry
Year of publication	2022
Journal volume	24
Journal issue	10
Pages of publication	4004 - 4011
a	20.4311 ± 0.0008 Å
b	10.9478 ± 0.0004 Å
c	17.313 ± 0.0007 Å
α	90°
β	109.488 ± 0.002°
γ	90°
Cell volume	3650.6 ± 0.2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	169.97 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	0.0563
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
275783 (current)	2022-06-06	cif/ Updating files of 7244843 Original log message: Adding full bibliography for 7244843.cif.	7244843.cif
274615	2022-04-21	cif/ Adding structures of 7244843 via cif-deposit CGI script.	7244843.cif