Crystallography Open Database

Information card for entry 7112609

Preview

Coordinates	7112609.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1 in manuscript
Formula	C93 H87 Au Cl7 O6 P
Calculated formula	C93 H87 Au Cl7 O6 P
SMILES	[Au](Cl)[P](Oc1c(c2c(cc1)cccc2)c1c(OC23CC4CC(C2)CC(C3)C4)ccc2ccccc12)(Oc1c(c2c(cc1)cccc2)c1c(OC23CC4CC(C2)CC(C3)C4)ccc2ccccc12)Oc1c(c2c(cc1)cccc2)c1c(OC23CC4CC(C2)CC(C3)C4)ccc2ccccc12.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
Title of publication	Highly active phosphite gold(I) catalysts for intramolecular hydroalkoxylation, enyne cyclization and furanyne cyclization
Authors of publication	Maria Camila Blanco Jaimes; Frank Rominger; Mariette M. Pereira; Rui M. B. Carrilho; Sonia A. C. Carabineiro; A. Stephen K. Hashmi
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	4937
a	13.5849 ± 0.0006 Å
b	19.9777 ± 0.0008 Å
c	16.2382 ± 0.0007 Å
α	90°
β	113.621 ± 0.001°
γ	90°
Cell volume	4037.7 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0799
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1291
Weighted residual factors for all reflections included in the refinement	0.1438
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
180240 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/26.	7112609.cif
111481	2014-04-23	cif/ Adding structures of 7112609, 7112610 via cif-deposit CGI script.	7112609.cif