Information card for entry 4086636

Structure parameters

• Formula: C44 H70 Al2 N4 O2
• Calculated formula: C44 H70 Al2 N4 O2
• SMILES: C[Al]1(N(c2c(cccc2C(C)C)C(C)C)Cc2n(ccc2)C)[O]([Al](C)(N(c2c(cccc2C(C)C)C(C)C)Cc2n(ccc2)C)[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: 11.2538 ± 0.0008 Å
• b: 11.4035 ± 0.0008 Å
• c: 17.9409 ± 0.0013 Å
• α: 90°
• β: 92.087 ± 0.001°
• γ: 90°
• Cell volume: 2300.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0709
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No