Crystallography Open Database

Information card for entry 7156523

Preview

Coordinates	7156523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 F3 I N O
Calculated formula	C16 H19 F3 I N O
Title of publication	Transition metal free decarboxylative fluoroalkylation of N-acrylamides with 3,3,3-trifluoro-2,2-dimethylpropanoic acid (TFDMPA).
Authors of publication	Shi, Yingkun; Xiao, Hongqing; Xu, Xiu-Hua; Huang, Yangen
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	44
Pages of publication	8472 - 8476
a	11.6524 ± 0.0004 Å
b	15.998 ± 0.0006 Å
c	18.6279 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3472.5 ± 0.2 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	0.0392
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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