Crystallography Open Database

Information card for entry 4069504

Preview

Coordinates	4069504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H29 N3 O2
Calculated formula	C25 H29 N3 O2
SMILES	O=C1N(C(=C(N[C@@H](c2ccccc2)C)C)C(=N\[C@@H](c2ccccc2)C)\C)C(=O)CC1
Title of publication	Bis(2-phenylethyl)-nacnac: A Chiral Diketiminate Ligand and Its Copper Complexes
Authors of publication	Oguadinma, Paul O.; Schaper, Frank
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	14
Pages of publication	4089
a	9.7805 ± 0.0003 Å
b	12.5052 ± 0.0004 Å
c	17.9988 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2201.38 ± 0.12 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178584 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/95.	4069504.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069504.cif
40310	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069498, 4069499, 4069500, 4069501, 4069502, 4069503, 4069504 via cif-deposit CGI script.	4069504.cif