Information card for entry 7155896

Structure parameters

• Formula: C30 H27 N3 O6
• Calculated formula: C30 H27 N3 O6
• SMILES: c1(c(c(c(c(c1O)/C=N/OCc1ccccc1)O)/C=N/OCc1ccccc1)O)/C=N/OCc1ccccc1
• Title of publication: Tuning the tautomeric behavior of tris(salicylaldimines)
• Authors of publication: Mehr, S. Hessam M.; Oshima, Hiroya; Carta, Veronica; Patrick, Brian O.; White, Nicholas G.; MacLachlan, Mark J.
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 33.094 ± 0.004 Å
• b: 33.094 ± 0.004 Å
• c: 4.6401 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5081.9 ± 1.2 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections: 0.1243
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No