Information card for entry 7128577

Structure parameters

• Common name: Iminoborane
• Chemical name: Iminoborane
• Formula: C42 H69 Al B N
• Calculated formula: C42 H69 Al B N
• SMILES: [Al]1(C(=C(CC)C(CC)=C(B(N1C(C)(C)C)c1c(cc(cc1C)C)C)CC)CC)C1(C=C(C(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C
• 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: 9.255 ± 0.003 Å
• b: 13.353 ± 0.003 Å
• c: 17.129 ± 0.005 Å
• α: 83.886 ± 0.006°
• β: 83.022 ± 0.011°
• γ: 71.208 ± 0.007°
• Cell volume: 1984 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No