Information card for entry 7155897

Structure parameters

• Formula: C30 H52 N6 O8
• Calculated formula: C30 H52 N6 O8
• 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: 13.462 ± 0.003 Å
• b: 18.842 ± 0.004 Å
• c: 13.504 ± 0.003 Å
• α: 90°
• β: 98.67 ± 0.03°
• γ: 90°
• Cell volume: 3386.2 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.68879 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No