Crystallography Open Database

Information card for entry 1568454

Preview

Coordinates	1568454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H28 B F4 N O2
Calculated formula	C25 H28 B F4 N O2
Title of publication	Copper-catalyzed defluorinative arylboration of vinylarenes with polyfluoroarenes
Authors of publication	Wu, Fu-Peng; Gu, Xing-Wei; Geng, Hui-Qing; Wu, Xiao-Feng
Journal of publication	Chemical Science
Year of publication	2023
Journal volume	14
Journal issue	9
Pages of publication	2342 - 2347
a	14.3154 ± 0.0003 Å
b	26.4615 ± 0.0006 Å
c	6.2605 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2371.52 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281387 (current)	2023-03-04	cif/ Updating files of 1568454 Original log message: Adding full bibliography for 1568454.cif.	1568454.cif
280967	2023-02-20	cif/ Adding structures of 1568454 via cif-deposit CGI script.	1568454.cif