Crystallography Open Database

Information card for entry 4071281

Preview

Coordinates	4071281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 N2
Calculated formula	C32 H40 N2
Title of publication	From Pyrroles to Isoindolines: Synthesis of a γ-Diimine Ligand for Applications in Palladium Coordination Chemistry and Catalysis
Authors of publication	Chitanda, Jackson M.; Prokopchuk, Demyan E.; Quail, J. Wilson; Foley, Stephen R.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	10
Pages of publication	2337
a	15.3632 ± 0.0015 Å
b	41.914 ± 0.0009 Å
c	8.552 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5506.9 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0973
Residual factor for significantly intense reflections	0.0848
Weighted residual factors for significantly intense reflections	0.1899
Weighted residual factors for all reflections included in the refinement	0.1981
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
178601 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/12.	4071281.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071281.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071281.cif
43136	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071281, 4071282, 4071283, 4071284, 4071285 via cif-deposit CGI script.	4071281.cif