Crystallography Open Database

Information card for entry 7249662

Preview

Coordinates	7249662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H11 N O2
Calculated formula	C10 H11 N O2
Title of publication	Electrochemical dehydrogenative annulation for the synthesis of 4-oxo-oxazolines
Authors of publication	Yuan, Yong; Liu, Xincong; Zhang, Feng; Bai, Chunyan; Tao, Yuyan; Bao, Xiazhen; Ji, Dongsheng; Huo, Congde
Journal of publication	Green Chemistry
Year of publication	2025
Journal volume	27
Journal issue	1
Pages of publication	96 - 101
a	15.5314 ± 0.0009 Å
b	4.1737 ± 0.0002 Å
c	14.2425 ± 0.0009 Å
α	90°
β	90.82 ± 0.006°
γ	90°
Cell volume	923.15 ± 0.09 Å³
Cell temperature	304.23 ± 0.1 K
Ambient diffraction temperature	304.23 ± 0.1 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	0.0707
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1446
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
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
298955 (current)	2025-04-05	cif/ Updating files of 7249662 Original log message: Adding full bibliography for 7249662.cif.	7249662.cif
296189	2024-12-03	cif/ Adding structures of 7249662 via cif-deposit CGI script.	7249662.cif