Crystallography Open Database

Information card for entry 4517336

Preview

Coordinates	4517336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H39 Ag F9 O P
Calculated formula	C28 H39 Ag F9 O P
Title of publication	Ag/Pd Cocatalyzed Direct Arylation of Fluoroarene Derivatives with Aryl Bromides
Authors of publication	Panigrahi, Adyasha; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor
Journal of publication	ACS Catalysis
Year of publication	2020
Pages of publication	2100 - 2107
a	9.8179 ± 0.0001 Å
b	14.1041 ± 0.0001 Å
c	20.6209 ± 0.0002 Å
α	90°
β	99.978 ± 0.001°
γ	90°
Cell volume	2812.24 ± 0.05 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0291
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.0727
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257038 (current)	2020-10-04	cif/ Updating files of 4517336, 4517337 Original log message: Adding full bibliography for 4517336--4517337.cif.	4517336.cif
247202	2020-01-25	cif/ Adding structures of 4517336 via cif-deposit CGI script.	4517336.cif