Crystallography Open Database

Information card for entry 7160119

Preview

Coordinates	7160119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 Cl2 F3 O8 Se
Calculated formula	C24 H23 Cl2 F3 O8 Se
Title of publication	Direct trifluoromethylselenolations of electron-rich (hetero)aromatic rings with <i>N</i>-trifluoromethylselenolating saccharin.
Authors of publication	Gao, Guiya; Xie, Keyi; Shi, Minghui; Gao, Tao; Wang, Zedong; Zhang, Congcong; Wang, Zhentao
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	37
Pages of publication	7707 - 7714
a	11.7699 ± 0.0017 Å
b	13.869 ± 0.002 Å
c	16.099 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2627.9 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0613
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	0.905
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
295328 (current)	2024-10-06	cif/ Updating files of 7160117, 7160118, 7160119, 7160120 Original log message: Adding full bibliography for 7160117--7160120.cif.	7160119.cif
294287	2024-08-30	cif/ Adding structures of 7160117, 7160118, 7160119, 7160120 via cif-deposit CGI script.	7160119.cif