Crystallography Open Database

Information card for entry 7157604

Preview

Coordinates	7157604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 B F4 I O2
Calculated formula	C21 H20 B F4 I O2
Title of publication	Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.
Authors of publication	Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	31
Pages of publication	6140 - 6146
a	12.965 ± 0.002 Å
b	11.911 ± 0.002 Å
c	13.389 ± 0.002 Å
α	90°
β	102.163 ± 0.003°
γ	90°
Cell volume	2021.2 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
256171 (current)	2020-09-06	cif/ Updating files of 7157603, 7157604, 7157605, 7157606, 7157607 Original log message: Adding full bibliography for 7157603--7157607.cif.	7157604.cif
254573	2020-07-25	cif/ Adding structures of 7157603, 7157604, 7157605, 7157606, 7157607 via cif-deposit CGI script.	7157604.cif