Crystallography Open Database

Information card for entry 7249698

Preview

Coordinates	7249698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 F2 N2 O
Calculated formula	C20 H16 F2 N2 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	8.1405 ± 0.0001 Å
b	12.0794 ± 0.0001 Å
c	17.1421 ± 0.0003 Å
α	96.31 ± 0.001°
β	97.164 ± 0.001°
γ	93.991 ± 0.001°
Cell volume	1656.39 ± 0.04 Å³
Cell temperature	120 ± 0.5 K
Ambient diffraction temperature	120 ± 0.5 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1357
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7249698.cif