Information card for entry 1573384

Structure parameters

• Formula: C40 H56 Al Cl O3
• Calculated formula: C40 H56 Al Cl O3
• SMILES: Clc1ccc(C2c3c(O[Al](Oc4c2cc(cc4C(C)(C)C)C(C)(C)C)([O]2CCCC2)C)c(cc(c3)C(C)(C)C)C(C)(C)C)cc1
• Title of publication: Evolution of aluminum aminophenolate complexes in the ring-opening polymerization of ε-caprolactone: electronic and amino-chelating effects.
• Authors of publication: Ganta, Prasanna Kumar; Huang, Fei; Halima, Taoufik Ben; Kamaraj, Rajiv; Chu, Yu-Ting; Tseng, Hsi-Ching; Ding, Shangwu; Wu, Kuo-Hui; Chen, Hsuan-Ying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 511 - 532
• a: 10.6759 ± 0.0002 Å
• b: 17.5313 ± 0.0003 Å
• c: 40.2687 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7536.8 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No