Crystallography Open Database

Information card for entry 1545543

Preview

Coordinates	1545543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H50 Cl2 N2 O12 Pd3
Calculated formula	C29 H50 Cl2.0001 N2 O12 Pd3
Title of publication	Ligand-assisted palladium-catalyzed C‒H alkenylation of aliphatic amines for the synthesis of functionalized pyrrolidines
Authors of publication	He, Chuan; Gaunt, Matthew J.
Journal of publication	Chem. Sci.
Year of publication	2017
Journal volume	8
Journal issue	5
Pages of publication	3586
a	25.3774 ± 0.0004 Å
b	8.3627 ± 0.0002 Å
c	19.7264 ± 0.0004 Å
α	90°
β	116.32 ± 0.001°
γ	90°
Cell volume	3752.41 ± 0.14 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.068
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
196326 (current)	2017-05-06	cif/ Updating files of 1545543 Original log message: Adding full bibliography for 1545543.cif.	1545543.cif
194141	2017-03-10	cif/ Adding structures of 1545543 via cif-deposit CGI script.	1545543.cif