Crystallography Open Database

Information card for entry 1506059

Preview

Coordinates	1506059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 Cl N3 P Pd
Calculated formula	C24 H23 Cl N3 P Pd
Title of publication	"Clickphine": a novel and highly versatile P,N ligand class via click chemistry.
Authors of publication	Detz, Remko J.; Heras, Silvia Arévalo; de Gelder, R.; van Leeuwen, Piet W. N. M.; Hiemstra, Henk; Reek, Joost N. H.; van Maarseveen, Jan H.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	15
Pages of publication	3227 - 3230
a	11.1254 ± 0.0006 Å
b	11.9304 ± 0.0009 Å
c	17.898 ± 0.0011 Å
α	82.322 ± 0.005°
β	82.065 ± 0.004°
γ	77.051 ± 0.005°
Cell volume	2280 ± 0.3 Å³
Cell temperature	208 ± 2 K
Ambient diffraction temperature	208 ± 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	0.0498
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for all reflections	0.0616
Weighted residual factors for significantly intense reflections	0.0565
Weighted residual factors for all reflections included in the refinement	0.0616
Goodness-of-fit parameter for all reflections	1.095
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1506059.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506059.cif
47963	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506059 via cif-deposit CGI script.	1506059.cif