Information card for entry 7040140

Structure parameters

• Formula: C19 H18 Al N O
• Calculated formula: C19 H18 Al N O
• SMILES: [Al]1(Oc2ccccc2C=[N]1c1cccc2c1cccc2)(C)C
• Title of publication: Monomeric and dimeric Al(iii) complexes for the production of polylactide.
• Authors of publication: Kirk, Sarah M.; Quilter, Helena C.; Buchard, Antoine; Thomas, Lynne H.; Kociok-Kohn, Gabriele; Jones, Matthew D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 13846 - 13852
• a: 14.207 ± 0.0002 Å
• b: 7.016 ± 0.0001 Å
• c: 32.848 ± 0.0006 Å
• α: 90°
• β: 97.565 ± 0.001°
• γ: 90°
• Cell volume: 3245.67 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No