Information card for entry 7058545

Structure parameters

• Formula: C28 H29 Al N4 O2
• Calculated formula: C28 H29 Al N4 O2
• Title of publication: Unexpected intramolecular N-arylcyano-β-diketiminate cyclization in new aminoquinoline derivative complexes of aluminium for CO2 fixation into cyclic carbonates
• Authors of publication: Moreno da Costa, David; Borja, Luis; Verdugo, Camilo; Martinez, Javier; Quintero, Celso; Jaque, Pablo; Trofymchuk, Oleksandra S.; Daniliuc, Constantin G.; Cabrera, Alan R.; Rojas, Rene S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 30
• Pages of publication: 12059
• a: 9.12 ± 0.0002 Å
• b: 26.069 ± 0.0006 Å
• c: 10.7107 ± 0.0002 Å
• α: 90°
• β: 101.921 ± 0.001°
• γ: 90°
• Cell volume: 2491.54 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0418
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No