Information card for entry 7119739

Structure parameters

• Common name: Al-HBPh3
• Formula: C37 H58 Al B N4 O2
• Calculated formula: C37 H58 Al B N4 O2
• SMILES: [Al]123(OCCCC)[N]4(C)CCN1CC[N]2(C)CC[N]3(C)CC4.O1CCCC1.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: 10.748 ± 0.008 Å
• b: 11.615 ± 0.009 Å
• c: 15.531 ± 0.012 Å
• α: 103.493 ± 0.011°
• β: 107.633 ± 0.01°
• γ: 97.17 ± 0.011°
• Cell volume: 1756 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1335
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No