Information card for entry 2235389

Structure parameters

• Common name: 2,2'-((1E,1'E)-(((2S,3S)-1,4-dioxaspiro[4.5]decane-2,3-diylbis(methylene)) bis(azanylylidene))bis(methanylylidene))diphenol
• Chemical name: 2-[(<i>E</i>)-({3-[(<i>E</i>)-(2-Hydroxybenzylidene)aminomethyl]- 1,4-dioxaspiro[4.5]decan-2-yl}methyl)iminomethyl]phenol
• Formula: C24 H28 N2 O4
• Calculated formula: C24 H28 N2 O4
• SMILES: O1[C@@H]([C@@H](C/N=C/c2c(O)cccc2)OC21CCCCC2)C/N=C/c1c(O)cccc1
• Title of publication: 2-[(<i>E</i>)-({3-[(<i>E</i>)-(2-Hydroxybenzylidene)aminomethyl]-1,4-dioxaspiro[4.5]decan-2-yl}methyl)iminomethyl]phenol
• Authors of publication: Jiang, Yan; Wang, Lili; Bian, Jing; Du, Xiaoying; Sun, Xiaoqiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2296
• a: 5.7443 ± 0.0008 Å
• b: 21.558 ± 0.003 Å
• c: 9.0075 ± 0.0011 Å
• α: 90°
• β: 95.074 ± 0.006°
• γ: 90°
• Cell volume: 1111.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes