Information card for entry 4112282

Structure parameters

• Formula: C23 H33 Al N2 O2
• Calculated formula: C23 H33 Al N2 O2
• SMILES: [Al]123(C)Oc4c(cc(cc4C[N]1(CC[N]2(Cc1cc(cc(c1O3)C)C)C)C)C)C
• Title of publication: Remarkable Stereocontrol in the Polymerization of Racemic Lactide Using Aluminum Initiators Supported by Tetradentate Aminophenoxide Ligands
• Authors of publication: Pimpa Hormnirun; Edward L. Marshall; Vernon C. Gibson; Andrew J. P. White; David J. Williams
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 2688 - 2689
• a: 7.7325 ± 0.001 Å
• b: 15.6579 ± 0.0013 Å
• c: 35.803 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4334.8 ± 0.7 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No