Information card for entry 1543385

Structure parameters

• Common name: alsnphbr
• Chemical name: LHBrAlMe3
• Formula: C16 H17 Al Br N S
• Calculated formula: C16 H17 Al Br N S
• SMILES: [Al]([n]1c2c(sc1c1ccc(Br)cc1)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: 9.7337 ± 0.0005 Å
• b: 9.8376 ± 0.0008 Å
• c: 10.2179 ± 0.0009 Å
• α: 65.706 ± 0.008°
• β: 76.457 ± 0.006°
• γ: 64.524 ± 0.007°
• Cell volume: 803.12 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0518
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No