Information card for entry 7126459

Structure parameters

• Formula: C77 H118 Al2 N6 O2
• Calculated formula: C73 H110 Al2 N6 O
• SMILES: [Al]1(N(C(=C(N1c1c(C(C)C)cccc1C(C)C)C)C)c1c(C(C)C)cccc1C(C)C)([O]1CCCC1)C1=[N](C2CCCCC2)[Al]2(N1C1CCCCC1)N(C(=C(N2c1c(C(C)C)cccc1C(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: 23.926 ± 0.005 Å
• b: 13.52 ± 0.003 Å
• c: 47.134 ± 0.009 Å
• α: 90°
• β: 98.006 ± 0.003°
• γ: 90°
• Cell volume: 15098 ± 5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1173
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No