Crystallography Open Database

Information card for entry 4314966

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Structure parameters

Common name	cis-H4L
Formula	C30 H30 N4 O10
Calculated formula	C30 H30 N4 O10
SMILES	c12c(c(ccc1)OCC=CCOc1c(c(C=NOCCON=Cc3c(c(c(C=NOCCON=C2)cc3)O)O)ccc1)O)O
Title of publication	Modulation of Multimetal Complexation Behavior of Tetraoxime Ligand by Covalent Transformation of Olefinic Functionalities
Authors of publication	Shigehisa Akine; Satoko Kagiyama; Tatsuya Nabeshima
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	2141 - 2152
a	9.6197 ± 0.0009 Å
b	11.0878 ± 0.001 Å
c	14.2308 ± 0.0013 Å
α	81.48 ± 0.001°
β	85.288 ± 0.001°
γ	73.546 ± 0.001°
Cell volume	1438.4 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0496
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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