Crystallography Open Database

Information card for entry 4328418

Preview

Coordinates	4328418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H37 Cl N O P Pd
Calculated formula	C36 H37 Cl N O P Pd
SMILES	[Pd]1(c2ccc3ccccc3c2[C@@H](C)[N]1(C)C)(Cl)[P@](C)([C@@H](CC(=O)c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Palladacycle-Catalyzed Asymmetric Hydrophosphination of Enones for Synthesis of C- and P-Chiral Tertiary Phosphines
Authors of publication	Yinhua Huang; Sumod A. Pullarkat; Yongxin Li; Pak-Hing Leung
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2533 - 2540
a	17.7791 ± 0.0005 Å
b	9.7695 ± 0.0003 Å
c	19.4755 ± 0.0006 Å
α	90°
β	110.341 ± 0.002°
γ	90°
Cell volume	3171.81 ± 0.17 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0514
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
179387 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/84.	4328418.cif
77384	2013-03-26	cif/ Adding structures of 4328418 via cif-deposit CGI script.	4328418.cif