Crystallography Open Database

Information card for entry 4338549

Preview

Coordinates	4338549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 Cl N O4 P2 Pd
Calculated formula	C38 H42 Cl N O4 P2 Pd
SMILES	[Pd]12(c3ccc4ccccc4c3[C@@H](C)[N]1(C)C)[P]([C@@H](C[P@]2(c1ccccc1)/C=C\C)C)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-]
Title of publication	Asymmetric Synthesis of Diphosphine Ligands Containing Phosphorus and Carbon Stereogenic Centers by Means of a Chiral Palladium Complex Promoted Hydrophosphination Reaction
Authors of publication	Zhang, Yi; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing
Journal of publication	Inorganic chemistry
Year of publication	2009
Journal volume	48
Journal issue	12
Pages of publication	5535 - 5539
a	19.48 ± 0.002 Å
b	9.6937 ± 0.0011 Å
c	20.358 ± 0.002 Å
α	90°
β	109.602 ± 0.007°
γ	90°
Cell volume	3621.5 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.099
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for significantly intense reflections	0.1644
Weighted residual factors for all reflections included in the refinement	0.2095
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
210020 (current)	2018-08-21	cif/4/ Updating bibliography in entries 4302377-4302378, 4338548-4338549. Marking entries 4302377-4302378 as duplicates of entries 4338548-4338549.	4338549.cif
179488	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/85.	4338549.cif
114742	2014-05-29	cif/ Adding structures of 4338548, 4338549 via cif-deposit CGI script.	4338549.cif