Information card for entry 7119740

Structure parameters

• Common name: HO-AlBPh3
• Formula: C29 H42 Al B N4
• Calculated formula: C29 H42 Al B N4
• SMILES: [AlH]123[N]4(C)CCN1CC[N]2(C)CC[N]3(C)CC4.c1(ccccc1)[BH](c1ccccc1)c1ccccc1
• Title of publication: Ring-opening of cyclic ethers by aluminum hydridotriphenylborate.
• Authors of publication: Mukherjee, Debabrata; Osseili, Hassan; Truong, Khai-Nghi; Spaniol, Thomas P.; Okuda, Jun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 3493 - 3496
• a: 9.8159 ± 0.0018 Å
• b: 10.726 ± 0.002 Å
• c: 13.269 ± 0.002 Å
• α: 87.579 ± 0.004°
• β: 75.801 ± 0.003°
• γ: 83.365 ± 0.003°
• Cell volume: 1345.1 ± 0.4 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: 0.0793
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No