Crystallography Open Database

Information card for entry 7160170

Preview

Coordinates	7160170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H7 Cl2 F3 N2 O2
Calculated formula	C16 H7 Cl2 F3 N2 O2
Title of publication	I<sub>2</sub>-catalyzed tandem sp<sup>3</sup> C-H oxidation and annulation of aryl methyl ketones with amidoximes for the synthesis of 5-aroyl-1,2,4-oxadiazoles.
Authors of publication	Punna, Shiva Kumar; Arockiaraj, Mariyaraj; Rajeshkumar, Venkatachalam
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	36
Pages of publication	7478 - 7484
a	7.695 ± 0.0005 Å
b	13.3275 ± 0.0011 Å
c	15.5682 ± 0.0014 Å
α	90°
β	93.638 ± 0.004°
γ	90°
Cell volume	1593.4 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.1071
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1628
Weighted residual factors for all reflections included in the refinement	0.1949
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
295074 (current)	2024-10-05	cif/ Adding structures of 7160169, 7160170 via cif-deposit CGI script.	7160170.cif