Information card for entry 7053046

Structure parameters

• Formula: C34 H52 Al2 N2 O2
• Calculated formula: C34 H52 Al2 N2 O2
• SMILES: C[Al]1([N](=Cc2c(c(cc(c2)C)C(C)(C)C)O1)C1CCC([N]2[Al](C)(C)Oc3c(cc(cc3C(C)(C)C)C)C=2)CC1)C
• 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: 6.487 ± 0.0006 Å
• b: 7.668 ± 0.0007 Å
• c: 17.385 ± 0.0014 Å
• α: 98.515 ± 0.005°
• β: 90.729 ± 0.005°
• γ: 94.709 ± 0.005°
• Cell volume: 852.08 ± 0.13 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: 0.057
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No