Crystallography Open Database

Information card for entry 7053490

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Structure parameters

Formula	C42 H88 Li4 N10 O4
Calculated formula	C42 H88 Li4 N10 O4
Title of publication	Homo- and heteroanionic alkali metal aza-enolate aggregates derived from o-methylvalerolactim ether
Authors of publication	Andrews, Philip C.; Bull, Steven D.; Koutsaplis, Magdaline
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	8
Pages of publication	1678
a	10.061 ± 0.002 Å
b	14.802 ± 0.003 Å
c	17.141 ± 0.003 Å
α	90°
β	90.52 ± 0.03°
γ	90°
Cell volume	2552.6 ± 0.9 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1393
Residual factor for significantly intense reflections	0.0719
Weighted residual factors for significantly intense reflections	0.1732
Weighted residual factors for all reflections included in the refinement	0.2035
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7053490.cif
180088	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/34.	7053490.cif
93701	2014-01-13	cif/ Adding structures of 7053489, 7053490, 7053491, 7053492, 7053493, 7053494 via cif-deposit CGI script.	7053490.cif