Information card for entry 7031520

Structure parameters

• Formula: C26 H28 Al N3 O
• Calculated formula: C26 H28 Al N3 O
• SMILES: [Al]12([n]3c(n4[n]1c(cc4C)C)cccc3CC(O2)(c1ccccc1)c1ccccc1)(C)C
• Title of publication: Synthesis of N,N,O-chelate zinc and aluminum complexes and their catalysis in the ring-opening polymerization of ε-caprolactone and rac-lactide.
• Authors of publication: Kong, Wei-Li; Chai, Zuo-Yun; Wang, Zhong-Xia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14470 - 14480
• a: 8.9081 ± 0.0006 Å
• b: 8.9081 ± 0.0006 Å
• c: 26.125 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1795.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.1798
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 0.711
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No