Crystallography Open Database

Information card for entry 7249696

Preview

Coordinates	7249696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 F2 N O
Calculated formula	C23 H19 F2 N O
Title of publication	Electrophilic aromatic substitution using fluorinated isoxazolines at the C5 position via C–F bond cleavage
Authors of publication	Sato, Kazuyuki; Kuroki, Tomohiro; Minami, Haruka; Sato, Azusa; Karuo, Yukiko; Tarui, Atsushi; Kawai, Kentaro; Omote, Masaaki
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	53
Pages of publication	39543 - 39549
a	13.4568 ± 0.0002 Å
b	16.4098 ± 0.0002 Å
c	8.2521 ± 0.0001 Å
α	90°
β	94.707 ± 0.001°
γ	90°
Cell volume	1816.11 ± 0.04 Å³
Cell temperature	119.9 ± 0.5 K
Ambient diffraction temperature	119.9 ± 0.5 K
Number of distinct elements	5
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	0.0479
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1079
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
296887 (current)	2024-12-17	cif/ Adding structures of 7249696, 7249697, 7249698 via cif-deposit CGI script.	7249696.cif