Crystallography Open Database

Information card for entry 7249697

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Coordinates	7249697.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	17.3894 ± 0.0002 Å
b	6.2137 ± 0.0001 Å
c	16.7372 ± 0.0002 Å
α	90°
β	96.21 ± 0.001°
γ	90°
Cell volume	1797.88 ± 0.04 Å³
Cell temperature	120 ± 0.4 K
Ambient diffraction temperature	120 ± 0.4 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	0.0404
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	7249697.cif