Crystallography Open Database

Information card for entry 1571083

Preview

Coordinates	1571083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H45 Au B P
Calculated formula	C30 H45 Au B P
SMILES	[Au](c1ccccc1)[P](c1ccccc1B(C1CCCCC1)C1CCCCC1)(C(C)C)C(C)C
Title of publication	Chemo-selective Stille-type coupling of acyl-chlorides upon phosphine-borane Au(i) catalysis.
Authors of publication	Hidalgo, Nereida; Le Gac, Arnaud; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	14
Pages of publication	5187 - 5191
a	8.4826 ± 0.0008 Å
b	17.7973 ± 0.0016 Å
c	37.589 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5674.7 ± 1.1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0495
Weighted residual factors for all reflections included in the refinement	0.0528
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
291577 (current)	2024-05-05	cif/ Updating files of 1571083, 1571084, 1571085 Original log message: Adding full bibliography for 1571083--1571085.cif.	1571083.cif
290020	2024-03-02	cif/ Adding structures of 1571083, 1571084, 1571085 via cif-deposit CGI script.	1571083.cif