Crystallography Open Database

Information card for entry 1503718

Preview

Coordinates	1503718.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cis-(Dibromo)-[(2S,3S)-bis(diphenylphosphino)butane]-palladium(ii)
Formula	C28 H28 Br2 P2 Pd
Calculated formula	C28 H28 Br2 P2 Pd
SMILES	[Pd]1(Br)(Br)[P]([C@@H](C)[C@@H]([P]1(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1
Title of publication	Stable preformed chiral palladium catalysts for the one-pot asymmetric reductive amination of ketones.
Authors of publication	Rubio-Pérez, Laura; Pérez-Flores, F Javier; Sharma, Pankaj; Velasco, Luis; Cabrera, Armando
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	2
Pages of publication	265 - 268
a	9.1374 ± 0.0004 Å
b	16.5065 ± 0.0008 Å
c	18.0121 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2716.7 ± 0.2 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.0408
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.071
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.	1503718.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503718.cif
39017	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503718 via cif-deposit CGI script.	1503718.cif