Information card for entry 7049238

Structure parameters

• Formula: C40 H49 Al2 N5 S
• Calculated formula: C40 H49 Al2 N5 S
• Title of publication: Synthesis of helical aluminium catalysts for cyclic carbonate formation.
• Authors of publication: Gaona, Miguel A.; de la Cruz-Martínez, Felipe; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Alonso-Moreno, Carlos; Rodríguez, Ana M; Rodríguez-Diéguez, Antonio; Castro-Osma, José A; Otero, Antonio; Lara-Sánchez, Agustín
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 13
• Pages of publication: 4218 - 4227
• a: 16.119 ± 0.005 Å
• b: 24.785 ± 0.005 Å
• c: 21.326 ± 0.004 Å
• α: 90°
• β: 115.151 ± 0.016°
• γ: 90°
• Cell volume: 7712 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2258
• Weighted residual factors for all reflections included in the refinement: 0.2461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No