Crystallography Open Database

Information card for entry 7157296

Preview

Structure parameters

Formula	C17 H17 N O4
Calculated formula	C17 H17 N O4
Title of publication	Direct oxidative coupling of N-acyl pyrroles with alkenes by ruthenium(ii)-catalyzed regioselective C2-alkenylation.
Authors of publication	Chen, Weiqiang; Li, Hui-Jing; Li, Qin-Ying; Wu, Yan-Chao
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	3
Pages of publication	500 - 513
a	10.2856 ± 0.0005 Å
b	13.4694 ± 0.0006 Å
c	11.2174 ± 0.0005 Å
α	90°
β	90.662 ± 0.004°
γ	90°
Cell volume	1553.96 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0478
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.117
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7157296.cif
247833	2020-02-04	cif/ Updating files of 7157296 Original log message: Adding full bibliography for 7157296.cif.	7157296.cif
246401	2020-01-01	cif/ Adding structures of 7157296 via cif-deposit CGI script.	7157296.cif