Information card for entry 2222038

Structure parameters

• Chemical name: 2,2'-{1,1'-[Butane-1,4-diylbis(oxynitrilo)]diethylidyne}di-1-naphthol
• Formula: C28 H28 N2 O4
• Calculated formula: C28 H28 N2 O4
• SMILES: CC(=N\OCCCCO/N=C(/c1ccc2c(c1O)cccc2)C)/c1ccc2c(c1O)cccc2
• Title of publication: 2,2'-{1,1'-[Butane-1,4-diylbis(oxynitrilo)]diethylidyne}di-1-naphthol
• Authors of publication: Dong, Wen-Kui; Wu, Jian-Chao; Sun, Yin-Xia; Yao, Jian; Tong, Jun-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1248
• a: 6.959 ± 0.0015 Å
• b: 8.6598 ± 0.0018 Å
• c: 10.596 ± 0.002 Å
• α: 105.841 ± 0.002°
• β: 105.94 ± 0.002°
• γ: 91.689 ± 0.001°
• Cell volume: 586.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0774
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes