Information card for entry 1543388

Structure parameters

• Formula: C14 H16 Al N S2
• Calculated formula: C14 H16 Al N S2
• SMILES: c12ccccc1[n](c(c1cccs1)s2)[Al](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: 8.2963 ± 0.0003 Å
• b: 9.2804 ± 0.0004 Å
• c: 10.392 ± 0.0004 Å
• α: 87.69 ± 0.002°
• β: 84.941 ± 0.002°
• γ: 71.092 ± 0.002°
• Cell volume: 753.93 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0507
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No