Crystallography Open Database

Information card for entry 1515174

Preview

Coordinates	1515174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 Au N3 P
Calculated formula	C18 H21 Au N3 P
SMILES	[Au]([P](CC)(CC)c1ccccc1)c1c(nn[nH]1)c1ccccc1
Title of publication	A spontaneous gold(i)-azide alkyne cycloaddition reaction yields gold-peptide bioconjugates which overcome cisplatin resistance in a p53-mutant cancer cell line
Authors of publication	Köster, S. David; Alborzinia, Hamed; Can, Suzan; Kitanovic, Igor; Wölfl, Stefan; Rubbiani, Riccardo; Ott, Ingo; Riesterer, Phillip; Prokop, Aram; Merz, Klaus; Metzler-Nolte, Nils
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	6
Pages of publication	2062
a	10.131 ± 0.003 Å
b	16.286 ± 0.006 Å
c	22.312 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	3681 ± 2 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1136
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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.	1515174.cif
129076	2014-12-26	Fixing formulae and Z values for several entries	1515174.cif
110890	2014-04-20	cif/ Adding structures of 1515174 via cif-deposit CGI script.	1515174.cif