Crystallography Open Database

Information card for entry 4027377

Preview

Coordinates	4027377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H52 Cl N2 O2 P Pd S
Calculated formula	C54 H52 Cl N2 O2 P Pd S
Title of publication	Asymmetric Synthesis of Enaminophosphines via Palladacycle-Catalyzed Addition of Ph2PH to α,β-Unsaturated Imines
Authors of publication	Yinhua Huang; Renta Jonathan Chew; Sumod A. Pullarkat; Yongxin Li; Pak-Hing Leung
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	6849 - 6854
a	13.8975 ± 0.0005 Å
b	15.3683 ± 0.0006 Å
c	21.8526 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4667.3 ± 0.3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	8
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	0.0849
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1397
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178452 (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 4/02/73.	4027377.cif
81459	2013-04-15	cif/ Adding structures of 4027377 via cif-deposit CGI script.	4027377.cif