Crystallography Open Database

Information card for entry 7160117

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Coordinates	7160117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H5 F9 O2 Se3
Calculated formula	C10 H5 F9 O2 Se3
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	5.5035 ± 0.0007 Å
b	14.3112 ± 0.0018 Å
c	10.2822 ± 0.0014 Å
α	90°
β	95.415 ± 0.002°
γ	90°
Cell volume	806.23 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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