Information card for entry 7715368

Structure parameters

• Formula: C44 H52 Al N2 O2
• Calculated formula: C44 H53 Al N2 O2
• SMILES: [AlH]12(OC(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)c1ccccc1)OC(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)c1ccccc1
• Title of publication: Chemoselective Luche-type reduction of α,β-unsaturated ketones by aluminium hydride catalysis.
• Authors of publication: Yan, Ben; Ma, Xiaoli; Pang, Ziyuan; Yang, Zhi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4127 - 4131
• a: 11.3973 ± 0.0004 Å
• b: 8.7653 ± 0.0003 Å
• c: 38.0302 ± 0.0014 Å
• α: 90°
• β: 90.076 ± 0.003°
• γ: 90°
• Cell volume: 3799.2 ± 0.2 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 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: 0.0591
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No