Information card for entry 7054615

Structure parameters

• Formula: C14 H11 Cl2 N O2
• Calculated formula: C14 H11 Cl2 N O2
• SMILES: ClC1=C/C(=C/NCc2c(O)cccc2)C(=O)C(=C1)Cl
• Title of publication: Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA
• Authors of publication: Forder, Thomas R.; Jones, Matthew D.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 1974
• a: 8.041 ± 0.0005 Å
• b: 8.647 ± 0.0006 Å
• c: 18.742 ± 0.001 Å
• α: 90°
• β: 95.121 ± 0.004°
• γ: 90°
• Cell volume: 1297.94 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0482
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No