Crystallography Open Database

Information card for entry 4027206

Preview

Coordinates	4027206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H35 Cl2 N2 P Pd
Calculated formula	C29 H35 Cl2 N2 P Pd
SMILES	[Pd]1(Cl)(Cl)[P](c2c(cccc2)C=[N]1N1[C@@H](CC[C@H]1C(C)C)C(C)C)(c1ccccc1)c1ccccc1
Title of publication	Phosphino Hydrazones as Suitable Ligands in the Asymmetric Suzuki-Miyaura Cross-Coupling
Authors of publication	Abel Ros; Beatriz Estepa; Antonio Bermejo; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	4740 - 4750
a	8.2495 ± 0.0003 Å
b	15.617 ± 0.0005 Å
c	21.9201 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2824.02 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0347
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
178451 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/72.	4027206.cif
81274	2013-04-14	cif/ Adding structures of 4027206 via cif-deposit CGI script.	4027206.cif