Information card for entry 2216514

Structure parameters

• Chemical name: 2,2'-[1,1'-(Ethylenedioxydinitrilo)diethylidyne]diphenol
• Formula: C18 H20 N2 O4
• Calculated formula: C18 H20 N2 O4
• SMILES: Oc1ccccc1/C(=N/OCCO/N=C(/c1ccccc1O)C)C
• Title of publication: 2,2'-[1,1'-(Ethylenedioxydinitrilo)diethylidyne]diphenol
• Authors of publication: Li Wang; Xueni He; Yinxia Sun; Li Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4517 - o4517
• a: 6.9018 ± 0.0012 Å
• b: 17.2184 ± 0.0018 Å
• c: 7.3063 ± 0.0014 Å
• α: 90°
• β: 103.003 ± 0.002°
• γ: 90°
• Cell volume: 846 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes