Crystallography Open Database

Information card for entry 1553464

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Coordinates	1553464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 F3 N O6
Calculated formula	C22 H18 F3 N O6
Title of publication	Iron-catalyzed trifluoromethylation of vinylcyclopropanes: facile synthesis of CF3‒containing dihydronaphthalene derivatives
Authors of publication	Li, Zong-Rui; Bao, Xing-Xing; Sun, Jian; Shen, Jing; Wu, Dun-Qi; Liu, Yan-Kai; Deng, Qing-Hai; Liu, Feng
Journal of publication	Organic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	8
Pages of publication	934
a	11.266 ± 0.0013 Å
b	12.1474 ± 0.0015 Å
c	16.278 ± 0.0019 Å
α	73.095 ± 0.003°
β	73.52 ± 0.003°
γ	84.96 ± 0.003°
Cell volume	2043.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0784
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1486
Weighted residual factors for all reflections included in the refinement	0.1685
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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