Crystallography Open Database

Information card for entry 4134684

Preview

Coordinates	4134684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 F4 O
Calculated formula	C23 H20 F4 O
Title of publication	Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.
Authors of publication	Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	16
Pages of publication	7487 - 7496
a	11.057 ± 0.002 Å
b	15.078 ± 0.003 Å
c	22.516 ± 0.005 Å
α	90°
β	92.95 ± 0.03°
γ	90°
Cell volume	3748.8 ± 1.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
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	0.2105
Residual factor for significantly intense reflections	0.1425
Weighted residual factors for significantly intense reflections	0.326
Weighted residual factors for all reflections included in the refinement	0.3523
Goodness-of-fit parameter for all reflections included in the refinement	1.714
Diffraction radiation wavelength	0.75 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
251457 (current)	2020-05-04	cif/ Updating files of 4134682, 4134683, 4134684, 4134685 Original log message: Adding full bibliography for 4134682--4134685.cif.	4134684.cif
250714	2020-04-14	cif/ Adding structures of 4134684 via cif-deposit CGI script.	4134684.cif