Crystallography Open Database

Information card for entry 1503250

Preview

Coordinates	1503250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H28 Au Cl N2
Calculated formula	C21 H28 Au Cl N2
SMILES	[Au](Cl)=C(N(c1ccccc1)C(C)(C)C)N(c1ccccc1)C(C)(C)C
Title of publication	Novel acyclic diaminocarbene ligands with increased steric demand and their application in gold catalysis.
Authors of publication	Seo, Hwimin; Roberts, Benjamin P.; Abboud, Khalil A.; Merz, Jr, Kenneth M; Hong, Sukwon
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	21
Pages of publication	4860 - 4863
a	14.897 ± 0.0011 Å
b	9.114 ± 0.0006 Å
c	16.3705 ± 0.0012 Å
α	90°
β	109.832 ± 0.001°
γ	90°
Cell volume	2090.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0195
Residual factor for significantly intense reflections	0.0188
Weighted residual factors for significantly intense reflections	0.0503
Weighted residual factors for all reflections included in the refinement	0.0506
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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.	1503250.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503250.cif
37129	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503250, 1503251, 1503252 via cif-deposit CGI script.	1503250.cif