Crystallography Open Database

Information card for entry 7017831

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Structure parameters

Formula	C20 H28 N2 O2
Calculated formula	C20 H28 N2 O2
SMILES	Oc1c(CN(Cc2c(O)ccc(c2)C)CCN(C)C)cc(cc1)C
Title of publication	Lithium complexes supported by tripodal diaminebis(aryloxido) ligands: synthesis and structure.
Authors of publication	Janas, Zofia; Nerkowski, Tomasz; Kober, Ewa; Jerzykiewicz, Lucjan B.; Lis, Tadeusz
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	2
Pages of publication	442 - 447
a	14.82 ± 0.003 Å
b	6.049 ± 0.003 Å
c	21.294 ± 0.005 Å
α	90°
β	107.48 ± 0.03°
γ	90°
Cell volume	1820.8 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0699
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
301847 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure.	7017831.cif
179882	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/78.	7017831.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017831.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017831.cif
33433	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7017829, 7017830, 7017831 via cif-deposit CGI script.	7017831.cif