Crystallography Open Database

Information card for entry 7204829

7204828 << 7204829 >> 7204830

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Structure parameters

Formula	C28 H37 N O4
Calculated formula	C28 H37 N O4
SMILES	O=C(C)C=C(Nc1ccc(OC(=O)c2ccc(OCCCCCCCCCC)cc2)cc1)C
Title of publication	Rodlike metallomesogens containing nickel(II), palladium(II) and copper(II) based on novel enaminoketonato ligands
Authors of publication	Carsten P. Roll; Alexander G. Martin; Helmar Görls; Guido Leibeling; Daniel Guillon; Bertrand Donnio; Wolfgang Weigand
Journal of publication	J. Mater. Chem.
Year of publication	2004
Journal volume	14
Journal issue	11
Pages of publication	1722 - 1730
a	5.1776 ± 0.0004 Å
b	11.785 ± 0.001 Å
c	20.724 ± 0.002 Å
α	91.927 ± 0.007°
β	93.548 ± 0.006°
γ	91.903 ± 0.007°
Cell volume	1260.61 ± 0.19 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 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	0.1717
Residual factor for significantly intense reflections	0.0857
Weighted residual factors for significantly intense reflections	0.152
Weighted residual factors for all reflections included in the refinement	0.1576
Goodness-of-fit parameter for all reflections included in the refinement	2.706
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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