Crystallography Open Database

Information card for entry 7004746

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Structure parameters

Formula	C38 H36 N2 O12
Calculated formula	C38 H36 N2 O12
SMILES	O1c2c(c(O)c(c(O)c2[C@@]2(C(=O)C(C(=O)C=C12)=C(NCCNC(=C1C(=O)[C@]2(c3c(OC2=CC1=O)c(c(O)c(c3O)C)C(=O)C)C)C)C)C)C)C(=O)C
Title of publication	Preparation and characterization of copper(ii) and nickel(ii) complexes of a new chiral salen ligand derived from (+)-usnic acid
Authors of publication	Chollet-Krugler, Marylène; Tomasi, Sophie; Uriac, Philippe; Toupet, Loic; van de Weghe, Pierre
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	46
Pages of publication	6524 - 6526
a	7.5006 ± 0.0006 Å
b	10.1555 ± 0.0007 Å
c	11.3793 ± 0.0009 Å
α	72.374 ± 0.006°
β	88.638 ± 0.006°
γ	90.841 ± 0.005°
Cell volume	825.64 ± 0.11 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0749
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	0.833
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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