Information card for entry 4067681

Structure parameters

• Chemical name: Al(N2_Ts_N_OMe)Et
• Formula: C23 H34 Al N3 O5 S2
• Calculated formula: C23 H34 Al N3 O5 S2
• SMILES: [Al]123([N](CCN1S(=O)(=O)c1ccc(cc1)C)(CCN2S(=O)(=O)c1ccc(cc1)C)CC[O]3C)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: 7.8591 ± 0.0001 Å
• b: 12.9952 ± 0.0002 Å
• c: 12.7598 ± 0.0002 Å
• α: 90°
• β: 99.7066 ± 0.0007°
• γ: 90°
• Cell volume: 1284.51 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0287
• Weighted residual factors for all reflections included in the refinement: 0.0287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No