Crystallography Open Database

Information card for entry 7027689

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Coordinates	7027689.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	L3
Formula	C21 H26 N2 O2
Calculated formula	C21 H26 N2 O2
SMILES	CN(c1ccccc1)C(=O)C(CCCC)C(=O)N(c1ccccc1)C
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	8.91 ± 0.012 Å
b	26.75 ± 0.03 Å
c	9.245 ± 0.009 Å
α	90°
β	117.61 ± 0.01°
γ	90°
Cell volume	1953 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0699
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1465
Weighted residual factors for all reflections included in the refinement	0.1596
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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