Information card for entry 7031519

Structure parameters

• Formula: C22 H26 Al N3 O
• Calculated formula: C22 H26 Al N3 O
• SMILES: [Al]12(OC(=Cc3[n]1c(n1[n]2c(cc1C)C)ccc3)c1ccccc1)(CC)CC
• 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: 8.434 ± 0.004 Å
• b: 9.173 ± 0.006 Å
• c: 16.179 ± 0.008 Å
• α: 100.536 ± 0.011°
• β: 91.872 ± 0.008°
• γ: 117.275 ± 0.007°
• Cell volume: 1084 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0926
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No