Information card for entry 7126460

Structure parameters

• Formula: C70 H108 Al2 N8
• Calculated formula: C70 H108 Al2 N8
• SMILES: [Al]12([N](C(C)C)=C([Al]34N(c5c(cccc5C(C)C)C(C)C)C(C(C)=[N]3c3c(cccc3C(C)C)C(C)C)(C)/C(=N/C(C)C)N4C(C)C)N2C(C)C)N(C(=C(C)N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Reduction of carbodiimides by a dialumane through insertion and cycloaddition.
• Authors of publication: Xiao, Lin; Chen, Weixing; Shen, Lingyi; Liu, Li; Xue, Yujie; Zhao, Yanxia; Yang, Xiao-Juan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 47
• Pages of publication: 6352 - 6355
• a: 11.946 ± 0.002 Å
• b: 14.183 ± 0.003 Å
• c: 21.699 ± 0.004 Å
• α: 71.614 ± 0.006°
• β: 88.934 ± 0.006°
• γ: 76.753 ± 0.006°
• Cell volume: 3390.2 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No