Crystallography Open Database

Information card for entry 4514015

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Coordinates	4514015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 F3 I N O3
Calculated formula	C17 H19 F3 I N O3
Title of publication	Visible-Light-Promoted Atom Transfer Radical Cyclization of Unactivated Alkyl Iodides
Authors of publication	Shen, Yangyang; Cornella, Josep; Juliá-Hernández, Francisco; Martin, Ruben
Journal of publication	ACS Catalysis
Year of publication	2017
Journal volume	7
Journal issue	1
Pages of publication	409
a	47.1143 ± 0.0006 Å
b	4.86847 ± 0.00008 Å
c	16.0241 ± 0.0002 Å
α	90°
β	97.7446 ± 0.0011°
γ	90°
Cell volume	3641.99 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0363
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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