Crystallography Open Database

Information card for entry 7249707

Preview

Coordinates	7249707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H21 N O4
Calculated formula	C17 H21 N O4
Title of publication	Metal-free stereoselective intramolecular oxyamination of alkynes using a robotic and rapid photocatalytic synthesis and screening system
Authors of publication	Lu, Jia-Min; Mao, Yihui; Guo, Qihang; Zhong, Chengcheng; Gao, Xian-Ge; Fang, Qun; Lu, Zhan
Journal of publication	Green Chemistry
Year of publication	2025
Journal volume	27
Journal issue	3
Pages of publication	560 - 565
a	12.2627 ± 0.0005 Å
b	8.4254 ± 0.0004 Å
c	16.0986 ± 0.0006 Å
α	90°
β	101.59 ± 0.001°
γ	90°
Cell volume	1629.36 ± 0.12 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.0594
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
298967 (current)	2025-04-05	cif/ Updating files of 7249707 Original log message: Adding full bibliography for 7249707.cif.	7249707.cif
296908	2024-12-18	cif/ Adding structures of 7249707 via cif-deposit CGI script.	7249707.cif