Crystallography Open Database

Information card for entry 4123012

Preview

Coordinates	4123012.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H51 Cl P2 Pd
Calculated formula	C27 H51 Cl P2 Pd
Title of publication	Scope and Mechanism in Palladium-Catalyzed Isomerizations of Highly Substituted Allylic, Homoallylic, and Alkenyl Alcohols.
Authors of publication	Larionov, Evgeny; Lin, Luqing; Guénée, Laure; Mazet, Clément
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Pages of publication	141121132216006
a	7.5365 ± 0.0003 Å
b	9.4101 ± 0.0003 Å
c	10.7721 ± 0.0003 Å
α	93.659 ± 0.002°
β	108.172 ± 0.003°
γ	100.009 ± 0.003°
Cell volume	709.09 ± 0.04 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0201
Residual factor for significantly intense reflections	0.0201
Weighted residual factors for significantly intense reflections	0.0534
Weighted residual factors for all reflections included in the refinement	0.0534
Goodness-of-fit parameter for all reflections included in the refinement	0.934
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179032 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/30.	4123012.cif
127835	2014-11-22	cif/ Adding structures of 4123012 via cif-deposit CGI script.	4123012.cif