Crystallography Open Database

Information card for entry 7027690

Preview

Coordinates	7027690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H26 N2 O3
Calculated formula	C21 H26 N2 O3
SMILES	O=C(C(C(=O)N(C)c1ccccc1)CCOCC)N(C)c1ccccc1
Title of publication	Structural studies of lanthanide complexes with new hydrophobic malonamide solvent extraction agents †
Authors of publication	Iveson, Peter B.; Drew, Michael G. B.; Hudson, Michael J.; Madic, Charles
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	20
Pages of publication	3605
a	9.08 ± 0.009 Å
b	9.666 ± 0.012 Å
c	13.158 ± 0.014 Å
α	76.504 ± 0.01°
β	81.19 ± 0.01°
γ	61.322 ± 0.01°
Cell volume	984.1 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1641
Weighted residual factors for all reflections included in the refinement	0.1837
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7027690.html