Crystallography Open Database

Information card for entry 4517502

Preview

Coordinates	4517502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H37 Cl3 N P Pd
Calculated formula	C20 H37 Cl3 N P Pd
Title of publication	Enolizable Ketones as Activators of Palladium(II) Precatalysts in Amine Arylation Reactions
Authors of publication	Hu, Huaiyuan; Gilliam, Ashley M.; Qu, Fengrui; Shaughnessy, Kevin H.
Journal of publication	ACS Catalysis
Year of publication	2020
Journal volume	10
Journal issue	7
Pages of publication	4127 - 4135
a	17.846 ± 0.0003 Å
b	15.0741 ± 0.0002 Å
c	18.2288 ± 0.0003 Å
α	90°
β	94.492 ± 0.001°
γ	90°
Cell volume	4888.71 ± 0.13 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0176
Residual factor for significantly intense reflections	0.016
Weighted residual factors for significantly intense reflections	0.0393
Weighted residual factors for all reflections included in the refinement	0.0398
Goodness-of-fit parameter for all reflections included in the refinement	1.0368
Diffraction radiation probe	x-ray
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
257005 (current)	2020-10-04	cif/ Updating files of 4517502 Original log message: Adding full bibliography for 4517502.cif.	4517502.cif
250042	2020-04-04	cif/ Updating files of 4517502 Original log message: Adding full bibliography for 4517502.cif.	4517502.cif
249499	2020-03-19	cif/ Adding structures of 4517502 via cif-deposit CGI script.	4517502.cif