Information card for entry 7043719

Structure parameters

• Formula: C23 H30 Al N O S
• Calculated formula: C23 H30 Al N O S
• SMILES: s1c2c([n]3[Al](Oc4c(cc(cc4c13)C(C)(C)C)C(C)(C)C)(C)C)cccc2
• Title of publication: Aluminium complexes containing salicylbenzothiazole ligands and their application in the ring-opening polymerisation of rac-lactide and ε-caprolactone
• Authors of publication: Nakonkhet, Chutakan; Nanok, Tanin; Wattanathana, Worawat; Chuawong, Pitak; Hormnirun, Pimpa
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.4459 ± 0.0002 Å
• b: 11.9742 ± 0.0003 Å
• c: 18.4351 ± 0.0004 Å
• α: 105.354 ± 0.001°
• β: 90.043 ± 0.001°
• γ: 98.642 ± 0.001°
• Cell volume: 2196.35 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No