Information card for entry 1543386

Structure parameters

• Common name: alnsphme
• Chemical name: LHMeALMe3
• Formula: C17 H20 Al N S
• Calculated formula: C17 H20 Al N S
• SMILES: [Al]([n]1c2c(sc1c1ccc(cc1)C)cccc2)(C)(C)C
• Title of publication: The ring-opening polymerization of ε-caprolactone andl-lactide using aluminum complexes bearing benzothiazole ligands as catalysts
• Authors of publication: Huang, Yen-Tzu; Wang, Wei-Chu; Hsu, Chun-Pin; Lu, Wei-Yi; Chuang, Wan-Jung; Chiang, Michael Y.; Lai, Yi-Chun; Chen, Hsuan-Ying
• Journal of publication: Polym. Chem.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 26
• Pages of publication: 4367
• a: 8.4807 ± 0.0005 Å
• b: 10.2653 ± 0.0005 Å
• c: 11.1798 ± 0.0007 Å
• α: 63.422 ± 0.006°
• β: 72.126 ± 0.006°
• γ: 72.803 ± 0.005°
• Cell volume: 813.96 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0546
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No