Crystallography Open Database

Information card for entry 1518215

Preview

Coordinates	1518215.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 Au N O2
Calculated formula	C30 H32 Au N O2
SMILES	c1cccc2c3ccc(cc3[Au](c3ccc(cc3)OC(C)C)(c3ccc(cc3)OC(C)C)[n]12)C
Title of publication	Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)
Authors of publication	Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	2
Pages of publication	981
a	19.4071 ± 0.0009 Å
b	15.6565 ± 0.0007 Å
c	19.6251 ± 0.0009 Å
α	90°
β	112.078 ± 0.001°
γ	90°
Cell volume	5525.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518215.cif
130955	2015-02-04	cif/ Updating files of 1518209, 1518210, 1518211, 1518212, 1518213, 1518214, 1518215, 1518216, 1518217, 1518218 Original log message: Adding full bibliography for 1518209--1518218.cif.	1518215.cif
126577	2014-11-07	cif/ Adding structures of 1518209, 1518210, 1518211, 1518212, 1518213, 1518214, 1518215, 1518216, 1518217, 1518218 via cif-deposit CGI script.	1518215.cif