Crystallography Open Database

Information card for entry 7160120

Preview

Coordinates	7160120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Cl2 F3 N O2 Se
Calculated formula	C16 H12 Cl2 F3 N O2 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	24.132 ± 0.011 Å
b	11.467 ± 0.004 Å
c	16.411 ± 0.007 Å
α	90°
β	125.672 ± 0.012°
γ	90°
Cell volume	3689 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0978
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1463
Weighted residual factors for all reflections included in the refinement	0.1623
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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.	7160120.cif
294287	2024-08-30	cif/ Adding structures of 7160117, 7160118, 7160119, 7160120 via cif-deposit CGI script.	7160120.cif