Information card for entry 4086630

Structure parameters

• Formula: C27 H37 Al N2
• Calculated formula: C27 H37 Al N2
• SMILES: c1(ccccc1)Cn1c(C=[N]([Al](C)(C)C)c2c(cccc2C(C)C)C(C)C)ccc1
• Title of publication: Aluminum Complexes Bearing N-Protected 2-Amino- or 2-Imino-Functionalized Pyrrolyl Ligands: Synthesis, Structure, and Catalysis for Preparation of Pyrrolyl-End-Functionalized Polyesters
• Authors of publication: Wei, Yun; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong; Huang, Zeming; Hong, Dongjing
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 16
• Pages of publication: 2621
• a: 9.3969 ± 0.0009 Å
• b: 19.8967 ± 0.0019 Å
• c: 14.2982 ± 0.0014 Å
• α: 90°
• β: 97.979 ± 0.001°
• γ: 90°
• Cell volume: 2647.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1999
• Weighted residual factors for all reflections included in the refinement: 0.2339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No