Crystallography Open Database

Information card for entry 4109155

Preview

Coordinates	4109155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H46 Cl6 F6 O8 P2 Pd S2
Calculated formula	C54.8 H46 Cl6 F6 O8 P2 Pd S2
Title of publication	Palladium-Catalyzed Enantioselective Cyclization of Silyloxy-1,6-Enynes
Authors of publication	Britton K. Corkey; F. Dean Toste
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	2764 - 2765
a	9.94 ± 0.002 Å
b	19.177 ± 0.004 Å
c	16 ± 0.003 Å
α	90°
β	107.734 ± 0.002°
γ	90°
Cell volume	2905 ± 1 Å³
Cell temperature	153.2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for all reflections	0.0394
Weighted residual factors for all reflections included in the refinement	0.0373
Goodness-of-fit parameter for all reflections included in the refinement	1.431
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109155.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109155.cif
57910	2012-05-23	cif/ Adding structures of 4109155 via cif-deposit CGI script.	4109155.cif