Information card for entry 7026562

Structure parameters

• Formula: C17 H20 Al N3
• Calculated formula: C17 H20 Al N3
• SMILES: [Al]1(n2c(c3[n]1c(C)ccc3)nc1c2cccc1)(CC)CC
• Title of publication: Synthesis and characterisation of alkylaluminium benzimidazolates and their use in the ring-opening polymerisation of ε-caprolactone.
• Authors of publication: Shen, Miao; Huang, Wei; Zhang, Wenjuan; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 41
• Pages of publication: 9912 - 9922
• a: 7.2014 ± 0.0014 Å
• b: 16.582 ± 0.003 Å
• c: 13.37 ± 0.003 Å
• α: 90°
• β: 93.72 ± 0.03°
• γ: 90°
• Cell volume: 1593.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1954
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No