Information card for entry 1573382

Structure parameters

• Formula: C23 H31 Al Br2 N2 O3
• Calculated formula: C23 H31 Al Br2 N2 O3
• SMILES: Brc1cc2C[N]3([Al]4(Oc2cc1)(Oc1c(C[N]4(CC3)C)cc(Br)cc1)C)C.O1CCCC1
• 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: 17.3914 ± 0.0004 Å
• b: 10.0911 ± 0.0002 Å
• c: 14.2716 ± 0.0003 Å
• α: 90°
• β: 104.702 ± 0.002°
• γ: 90°
• Cell volume: 2422.64 ± 0.09 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No