Information card for entry 4086635

Structure parameters

• Formula: C56 H78 Al2 N4 O2
• Calculated formula: C56 H78 Al2 N4 O2
• SMILES: C[Al]1(N(c2c(cccc2C(C)C)C(C)C)Cc2n(Cc3ccccc3)ccc2)[O]([Al](C)(N(c2c(cccc2C(C)C)C(C)C)Cc2n(ccc2)Cc2ccccc2)[O]1C(C)C)C(C)C
• 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: 10.7701 ± 0.0013 Å
• b: 11.2577 ± 0.0014 Å
• c: 11.7012 ± 0.0014 Å
• α: 95.089 ± 0.002°
• β: 95.951 ± 0.002°
• γ: 105.241 ± 0.002°
• Cell volume: 1351.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No