Information card for entry 2014524

Structure parameters

• Chemical name: 1,3-[Bis(N-2-oxyphenylsalicylydene)]propane
• Formula: C29 H26 N2 O4
• Calculated formula: C29 H26 N2 O4
• SMILES: O(c1c(/N=C/c2c(O)cccc2)cccc1)CCCOc1ccccc1/N=C/c1ccccc1O
• Title of publication: 1,3-Bis[2-(2-hydroxybenzylideneamino)phenoxy]propane
• Authors of publication: Hökelek, Tuncer; Bilge, Selen; Demiriz, Şemsay; Özgüç, Bilgehan; Kılıç, Zeynel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o803 - o805
• a: 14.3665 ± 0.001 Å
• b: 17.1608 ± 0.0018 Å
• c: 19.762 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4872.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0804
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No