Crystallography Open Database

Information card for entry 4035796

Preview

Coordinates	4035796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 F6 N2 O4
Calculated formula	C24 H28 F6 N2 O4
Title of publication	Mn(OAc)<sub>3</sub>-Mediated Hydrotrifluoromethylation of Unactivated Alkenes Using CF<sub>3</sub>SO<sub>2</sub>Na as the Trifluoromethyl Source.
Authors of publication	Cui, Bin; Sun, Hui; Xu, Yibo; Li, Lin; Duan, Lili; Li, Yue-Ming
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	11
Pages of publication	6015 - 6024
a	5.1273 ± 0.0014 Å
b	7.9444 ± 0.0019 Å
c	30.291 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1233.9 ± 0.5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
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	0.0823
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.2407
Weighted residual factors for all reflections included in the refinement	0.2446
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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