Crystallography Open Database

Information card for entry 4135117

Preview

Coordinates	4135117.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tBuXphosAuC6H3F2
Formula	C35 H48 Au F2 P
Calculated formula	C35 H48 Au F2 P
SMILES	[Au](c1c(F)cccc1F)[P](C(C)(C)C)(C(C)(C)C)c1ccccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C
Title of publication	Gold Catalyzed Decarboxylative Cross-Coupling of Iodoarenes.
Authors of publication	Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	30
Pages of publication	13210 - 13218
a	9.4563 ± 0.0004 Å
b	10.1865 ± 0.0005 Å
c	17.3631 ± 0.0008 Å
α	98.128 ± 0.002°
β	93.544 ± 0.002°
γ	102.231 ± 0.002°
Cell volume	1610.85 ± 0.13 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0567
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
257118 (current)	2020-10-04	cif/ Updating files of 4135117 Original log message: Adding full bibliography for 4135117.cif.	4135117.cif
254770	2020-08-04	cif/ Updating files of 4135117 Original log message: Adding full bibliography for 4135117.cif.	4135117.cif
254437	2020-07-22	cif/ Adding structures of 4135117 via cif-deposit CGI script.	4135117.cif