Information card for entry 1573381

Structure parameters

• Formula: C22 H29 Al N O4
• Calculated formula: C21 H29 Al N2 O4
• SMILES: [Al]123(Oc4c(C[N]3(CC[N]2(C)Cc2c(O1)ccc(OC)c2)C)cc(OC)cc4)C
• 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: 7.0781 ± 0.0004 Å
• b: 11.3798 ± 0.0006 Å
• c: 12.8321 ± 0.0008 Å
• α: 79.573 ± 0.005°
• β: 86.427 ± 0.005°
• γ: 88.799 ± 0.005°
• Cell volume: 1014.5 ± 0.1 ų
• Cell temperature: 93 ± 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: 0.1029
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No