Information card for entry 7053047

Structure parameters

• Formula: C24 H41 N O4 Ti
• Calculated formula: C24 H41 N O4 Ti
• 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: 10.423 ± 0.0002 Å
• b: 22.81 ± 0.0005 Å
• c: 12.501 ± 0.0002 Å
• α: 90°
• β: 114.617 ± 0.001°
• γ: 90°
• Cell volume: 2701.97 ± 0.09 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No