Crystallography Open Database

Information card for entry 4315593

Preview

Coordinates	4315593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H19 Au Cl N3 O
Calculated formula	C15 H19 Au Cl N3 O
SMILES	[Au](Cl)=C1N(C=NN1[C@@H]1[C@@H](O)CCCC1)Cc1ccccc1.[Au](Cl)=C1N(C=NN1[C@H]1[C@H](O)CCCC1)Cc1ccccc1
Title of publication	Highly Convenient Regioselective Intermolecular Hydroamination of Alkynes Yielding Ketimines Catalyzed by Gold(I) Complexes of 1,2,4-triazole Based N-heterocyclic Carbenes
Authors of publication	Chandrakanta Dash; Mobin M. Shaikh; Ray J. Butcher; Prasenjit Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	4972 - 4983
a	7.002 ± 0.0003 Å
b	10.8493 ± 0.0004 Å
c	11.2981 ± 0.0004 Å
α	115.421 ± 0.004°
β	97.293 ± 0.003°
γ	90.211 ± 0.003°
Cell volume	767.29 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0992
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1971
Goodness-of-fit parameter for all reflections included in the refinement	1.211
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
179235 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/55.	4315593.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315593.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315593.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4315593.cif
8749	2011-02-08	../uploads/cif-deposit/cod/cif Adding structures of 4315593 via cif-deposit CGI script.	4315593.cif