Information card for entry 4067679

Structure parameters

• Chemical name: Al{1,2-C6H10(NHTs)2}Et(THF)
• Formula: C26 H37 Al N2 O5 S2
• Calculated formula: C26 H37 Al N2 O5 S2
• SMILES: [Al]1(N(S(=O)(=O)c2ccc(cc2)C)[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(cc1)C)([O]1CCCC1)CC.[Al]1(N(S(=O)(=O)c2ccc(cc2)C)[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(cc1)C)([O]1CCCC1)CC
• Title of publication: Sulfonamide-Supported Aluminum Catalysts for the Ring-Opening Polymerization ofrac-Lactide
• Authors of publication: Schwarz, Andrew D.; Chu, Zengyong; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 1246
• a: 10.6103 ± 0.0001 Å
• b: 16.4039 ± 0.0002 Å
• c: 16.3028 ± 0.0002 Å
• α: 90°
• β: 92.3235 ± 0.0006°
• γ: 90°
• Cell volume: 2835.17 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1762
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No