Crystallography Open Database

Information card for entry 7233234

Preview

Coordinates	7233234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 N2 O2
Calculated formula	C19 H16 N2 O2
Title of publication	An electrochemical off‒on method for pyrimidin-2(1H)-one synthesis via three-component cyclization
Authors of publication	Kong, Yanyan; Li, Yabo; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie
Journal of publication	Green Chemistry
Year of publication	2019
Journal volume	21
Journal issue	16
Pages of publication	4495
a	17.9538 ± 0.0002 Å
b	13.0669 ± 0.0002 Å
c	21.0038 ± 0.0003 Å
α	90°
β	96.8682 ± 0.0013°
γ	90°
Cell volume	4892.14 ± 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1457
Weighted residual factors for all reflections included in the refinement	0.166
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
224613 (current)	2019-11-08	cif/ Updating files of 7233234 Original log message: Adding full bibliography for 7233234.cif.	7233234.cif
217209	2019-07-23	cif/ Adding structures of 7233234 via cif-deposit CGI script.	7233234.cif