Crystallography Open Database

Information card for entry 7043808

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Structure parameters

Formula	C24 H28 N4 O6
Calculated formula	C24 H28 N4 O6
SMILES	O(c1cc(NC2=C/C(=N\c3cc(OC)c(OC)c(OC)c3)C(N)=CC2=N)cc(OC)c1OC)C
Title of publication	Di- vs. tetra-substituted quinonediimines: a drastic effect on coordination chemistry
Authors of publication	Lavaud, Lucien; Chen, Zhongrui; Elhabiri, Mourad; Jacquemin, Denis; Canard, Gabriel; Siri, Olivier
Journal of publication	Dalton Trans.
Year of publication	2017
a	16.933 ± 0.0003 Å
b	12.54583 ± 0.00016 Å
c	22.63 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4807.48 ± 0.12 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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