Information card for entry 1549214

Structure parameters

• Formula: C30 H44 Al N O4
• Calculated formula: C30.0024 H44.0072 Al N O4
• SMILES: [Al]1(OC(C)(C)C)(Oc2c(cc(cc2C[N]1(Cc1occc1)Cc1occc1)C(C)(C)C)C(C)(C)C)C
• 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: 10.098 ± 0.005 Å
• b: 10.771 ± 0.004 Å
• c: 14.599 ± 0.008 Å
• α: 105.627 ± 0.016°
• β: 97.16 ± 0.02°
• γ: 96.551 ± 0.013°
• Cell volume: 1499 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No