Information card for entry 7126464

Structure parameters

• Formula: C53 H75 Al N4
• Calculated formula: C53 H75 Al N4
• SMILES: [Al]12(N(C(=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[N](=CN2c1c(cccc1C(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: 20.25 ± 0.003 Å
• b: 12.5817 ± 0.0017 Å
• c: 18.94 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4825.5 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0688
• 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