Information card for entry 4346639

Structure parameters

• Common name: alsntbu
• Formula: C13 H20 Al N S
• Calculated formula: C13 H20 Al N S
• SMILES: [Al]1(Sc2ccccc2C=[N]1C(C)(C)C)(C)C
• Title of publication: Comparative Study of Aluminum Complexes Bearing N,O- and N,S-Schiff Base in Ring-Opening Polymerization of ε-Caprolactone and L-Lactide.
• Authors of publication: Chang, Meng-Chih; Lu, Wei-Yi; Chang, Heng-Yi; Lai, Yi-Chun; Chiang, Michael Y.; Chen, Hsing-Yin; Chen, Hsuan-Ying
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 11292 - 11298
• a: 12.2057 ± 0.0004 Å
• b: 8.6301 ± 0.0002 Å
• c: 13.8711 ± 0.0004 Å
• α: 90°
• β: 104.814 ± 0.003°
• γ: 90°
• Cell volume: 1412.57 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No