Information card for entry 7039289

Structure parameters

• Formula: C19 H22 Al N O2
• Calculated formula: C19 H22 Al N O2
• SMILES: [Al]1(Oc2c(C(C)(C)C)cccc2c2oc3ccccc3[n]12)(C)C
• Title of publication: Aluminum complexes containing salicylbenzoxazole ligands and their application in the ring-opening polymerization of rac-lactide and ε-caprolactone.
• Authors of publication: Sumrit, Pattarawut; Chuawong, Pitak; Nanok, Tanin; Duangthongyou, Tanwawan; Hormnirun, Pimpa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 9250 - 9266
• a: 26.3261 ± 0.0013 Å
• b: 10.5969 ± 0.0004 Å
• c: 26.0751 ± 0.0011 Å
• α: 90°
• β: 105.305 ± 0.002°
• γ: 90°
• Cell volume: 7016.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No