Crystallography Open Database

Information card for entry 7134585

Preview

Coordinates	7134585.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	SKX-JSL-3aa
Formula	C21 H21 N O4
Calculated formula	C21 H21 N O4
Title of publication	Photoredox catalyzed three-component tandem cyclization of 1,5-dienes with α-keto acids and water to access pyrrolidinones
Authors of publication	Sui, Kaixia; Jiang, Shiliang; Leng, Yuting; Wu, Yusheng; Wu, Yangjie
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	52
Pages of publication	9456 - 9459
a	6.22346 ± 0.00018 Å
b	22.0539 ± 0.0008 Å
c	13.8854 ± 0.0004 Å
α	90°
β	101.653 ± 0.003°
γ	90°
Cell volume	1866.51 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300454 (current)	2025-07-06	cif/ Updating files of 7134585 Original log message: Adding full bibliography for 7134585.cif.	7134585.cif
299796	2025-05-24	cif/ Adding structures of 7134585 via cif-deposit CGI script.	7134585.cif