Crystallography Open Database

Information card for entry 4087765

Preview

Coordinates	4087765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H25 Cl4 O P Pd S
Calculated formula	C27 H25 Cl4 O P Pd S
Title of publication	ModularP-Chirogenic Phosphine-Sulfide Ligands: Clear Evidence for Both Electronic Effect andP-Chirality Driving Enantioselectivity in Palladium-Catalyzed Allylations
Authors of publication	Bayardon, Jérôme; Maronnat, Milène; Langlois, Adam; Rousselin, Yoann; Harvey, Pierre D.; Jugé, Sylvain
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	17
Pages of publication	4340
a	11.404 ± 0.0006 Å
b	10.3436 ± 0.0004 Å
c	12.794 ± 0.0006 Å
α	90°
β	112.745 ± 0.002°
γ	90°
Cell volume	1391.8 ± 0.11 Å³
Cell temperature	115 K
Ambient diffraction temperature	115 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	0.0499
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα~1~
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
236994 (current)	2019-11-24	cif/ Adding structures of 4087763, 4087764, 4087765, 4087766 via cif-deposit CGI script.	4087765.cif