Crystallography Open Database

Information card for entry 7064107

Preview

Coordinates	7064107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 F3 N O2
Calculated formula	C20 H14 F3 N O2
Title of publication	Silver or copper-catalyzed ring opening [3+2] annulation of 2-polyfluoroalkyl chromones/6-polyfluoroalkyl pyran-4H-ones with methylene isocyanides: regioselective synthesis of 3-polyfluoroalkyl pyrroles
Authors of publication	Kochnev, Ivan A.; Barkov, Alexey Yu.
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	46
Pages of publication	20254 - 20263
a	5.2062 ± 0.0006 Å
b	13.1121 ± 0.0008 Å
c	24.064 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1642.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1292
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1336
Weighted residual factors for all reflections included in the refinement	0.1895
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
303882 (current)	2025-11-29	cif/ Updating files of 7064105, 7064106, 7064107, 7064108 Original log message: Adding full bibliography for 7064105--7064108.cif.	7064107.cif
303101	2025-10-30	cif/ Adding structures of 7064105, 7064106, 7064107, 7064108 via cif-deposit CGI script.	7064107.cif