Crystallography Open Database

Information card for entry 1503261

Preview

Coordinates	1503261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H34 Cl4 N O P Pd
Calculated formula	C26 H34 Cl4 N O P Pd
SMILES	c1(c(cc(cc1C)C)C)[P]1=C(c2ccccc2)C(C)(C)C2=[N]([C@H](CO2)C(C)C)[Pd]1(Cl)Cl.C(Cl)Cl
Title of publication	Chiral phosphaalkene-oxazoline ligands for the palladium-catalyzed asymmetric allylic alkylation.
Authors of publication	Dugal-Tessier, Julien; Dake, Gregory R.; Gates, Derek P.
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	20
Pages of publication	4667 - 4669
a	8.428 ± 0.005 Å
b	8.919 ± 0.005 Å
c	9.803 ± 0.005 Å
α	93.261 ± 0.005°
β	100.551 ± 0.005°
γ	95.576 ± 0.005°
Cell volume	718.9 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0224
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0457
Weighted residual factors for all reflections included in the refinement	0.0463
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71069 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.	1503261.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503261.cif
37138	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503261 via cif-deposit CGI script.	1503261.cif