Crystallography Open Database

Information card for entry 4515223

Preview

Coordinates	4515223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H34 F18 I2 N2 O2
Calculated formula	C46 H34 F18 I2 N2 O2
Title of publication	Visible-Light-Induced Atom Transfer Radical Addition and Cyclization of Perfluoroalkyl Halides with 1,n-Enynes
Authors of publication	Wang, Shuo-Wen; Yu, Jian; Zhou, Qin-Yi; Chen, Si-Yu; Xu, Zhen-Hua; Tang, Shi
Journal of publication	ACS Sustainable Chemistry & Engineering
Year of publication	2019
Journal volume	7
Journal issue	11
Pages of publication	10154
a	9.6843 ± 0.0005 Å
b	15.0889 ± 0.0007 Å
c	16.578 ± 0.0008 Å
α	89.55 ± 0.001°
β	78.093 ± 0.001°
γ	81.195 ± 0.002°
Cell volume	2341.7 ± 0.2 Å³
Cell temperature	153 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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