Information card for entry 7128580

Structure parameters

• Common name: Nitrone
• Chemical name: Nitrone
• Formula: C42 H60 Al N O
• Calculated formula: C42 H60 Al N O
• SMILES: C1(=C(C(=C(C(c2ccccc2)N(c2ccccc2)O[Al]23451[c]1([cH]2[c]3([c]4([cH]51)C(C)(C)C)C(C)(C)C)C(C)(C)C)CC)CC)CC)CC
• Title of publication: Synthesis of novel six-, seven- and eight-membered aluminum-containing rings by alumole ring expansion.
• Authors of publication: Drescher, Regina; Ritschel, Benedikt; Dewhurst, Rian D.; Deißenberger, Andrea; Hofmann, Alexander; Braunschweig, Holger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 61
• Pages of publication: 7505 - 7508
• a: 10.154 ± 0.004 Å
• b: 35.675 ± 0.014 Å
• c: 10.784 ± 0.004 Å
• α: 90°
• β: 111.84 ± 0.009°
• γ: 90°
• Cell volume: 3626 ± 2 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: 0.0814
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No