Information card for entry 4122074

Structure parameters

• Formula: C44 H86 Al Li O6 Si2
• Calculated formula: C44 H86 Al Li O6 Si2
• SMILES: [Si](C1=[Al](C(=CC=C1)[Si](C(C)C)(C(C)C)C(C)C)c1c(C)cc(cc1C)C)(C(C)C)(C(C)C)C(C)C.[O]1(C)CC[O](C)[Li]231([O](C)CC[O]2C)[O](C)CC[O]3C
• Title of publication: An anionic aluminabenzene bearing aromatic and ambiphilic contributions.
• Authors of publication: Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 26
• Pages of publication: 9276 - 9279
• a: 13.009 ± 0.003 Å
• b: 28.949 ± 0.006 Å
• c: 13.956 ± 0.003 Å
• α: 90°
• β: 108.554 ± 0.003°
• γ: 90°
• Cell volume: 4982.6 ± 1.9 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• 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: 0.0937
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No