Information card for entry 7053045

Structure parameters

• Formula: C48 H80 Al2 N2 O4
• Calculated formula: C48 H80 Al2 N2 O4
• Title of publication: Salen complexes based on 1,4-diaminocyclohexane and their exploitation for the polymerisation of rac-lactide
• Authors of publication: Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 7
• Pages of publication: 1996
• a: 9.569 ± 0.001 Å
• b: 11.6 ± 0.0007 Å
• c: 11.819 ± 0.0013 Å
• α: 109.497 ± 0.005°
• β: 96.776 ± 0.004°
• γ: 93.635 ± 0.005°
• Cell volume: 1220.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1313
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No