Crystallography Open Database

Information card for entry 4071342

Preview

Coordinates	4071342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H44 N4 Ti
Calculated formula	C37 H44 N4 Ti
Title of publication	Insertions into Azatitanacyclobutenes: New Insights into Three-Component Coupling Reactions Involving Imidotitanium Intermediates
Authors of publication	Vujkovic, Nadia; Fillol, Julio Lloret; Ward, Benjamin D.; Wadepohl, Hubert; Mountford, Philip; Gade, Lutz H.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	11
Pages of publication	2518
a	20.6472 ± 0.0016 Å
b	12.2032 ± 0.001 Å
c	25.668 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6467.4 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0828
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1411
Weighted residual factors for all reflections included in the refinement	0.1549
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation probe	x-ray
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
178602 (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 4/07/13.	4071342.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071342.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071342.cif
43161	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071342, 4071343, 4071344, 4071345, 4071346 via cif-deposit CGI script.	4071342.cif