Information card for entry 1549211

Structure parameters

• Formula: C27 H38 Al N O3
• Calculated formula: C27 H38 Al N O3
• SMILES: [Al]1([N](Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)(Cc1occc1)Cc1occc1)(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: 21.288 ± 0.01 Å
• b: 10.071 ± 0.005 Å
• c: 26.44 ± 0.013 Å
• α: 90°
• β: 112.811 ± 0.018°
• γ: 90°
• Cell volume: 5225 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No