Crystallography Open Database

Information card for entry 4127054

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Structure parameters

Formula	C22 H19 F6 N O6 S
Calculated formula	C22 H19 F6 N O6 S
Title of publication	Palladium-Catalyzed Intermolecular Ditrifluoromethoxylation of Unactivated Alkenes: CF3O-Palladation Initiated by Pd(IV).
Authors of publication	Chen, Chaohuang; Luo, Yixin; Fu, Liang; Chen, Pinhong; Lan, Yu; Liu, Guosheng
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
a	14.8178 ± 0.0004 Å
b	13.2109 ± 0.0004 Å
c	25.5413 ± 0.0008 Å
α	90°
β	106.456 ± 0.002°
γ	90°
Cell volume	4795.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0814
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.205
Weighted residual factors for all reflections included in the refinement	0.2135
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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