Information card for entry 1549212

Structure parameters

• Formula: C25 H33 N O3
• Calculated formula: C25 H33 N O3
• SMILES: o1c(CN(Cc2occc2)Cc2c(O)c(C(C)(C)C)cc(C(C)(C)C)c2)ccc1
• Title of publication: Synthesis and characterization of neutral and cationic aluminum complexes supported by a furfuryl-containing aminophenolate ligand for ring-opening polymerization of ε-caprolactone
• Authors of publication: Kiriratnikom, Jiraya; Chotchatchawankul, Sucheewin; Haesuwannakij, Setsiri; Kiatisevi, Supavadee; Phomphrai, Khamphee
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 8374
• a: 18.3409 ± 0.0019 Å
• b: 6.4457 ± 0.0006 Å
• c: 38.253 ± 0.003 Å
• α: 90°
• β: 95.468 ± 0.007°
• γ: 90°
• Cell volume: 4501.7 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No