Crystallography Open Database

Information card for entry 7135926

Preview

Coordinates	7135926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 Cl2 F3
Calculated formula	C23 H17 Cl2 F3
Title of publication	Palladium-catalyzed Asymmetric Carbofluorination of gem-Difluorostyrenes with Cesium Fluoride and Allylic Acetates
Authors of publication	Nelson, Eryn; Bisoyi, Rajesh; Wolf, Christian
Journal of publication	Chemical Communications
Year of publication	2026
a	16.954 ± 0.0003 Å
b	20.1285 ± 0.0003 Å
c	5.7093 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1948.35 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0316
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7135926.html