Information card for entry 1557837

Structure parameters

• Formula: C58 H100 Al2 N4 O1.79
• Calculated formula: C58 H100 Al2 N4 O1.801
• Title of publication: Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis
• Authors of publication: Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 18
• Pages of publication: 4817 - 4827
• a: 36.035 ± 0.002 Å
• b: 15.3951 ± 0.0008 Å
• c: 21.8876 ± 0.0012 Å
• α: 90°
• β: 104.19 ± 0.003°
• γ: 90°
• Cell volume: 11771.9 ± 1.1 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No