Information card for entry 4085096

Structure parameters

• Formula: C55 H59 Al N2 O2
• Calculated formula: C55 H59 Al N2 O2
• Title of publication: Aluminum Complexes Containing the C‒O‒Al‒O‒C Framework as Efficient Initiators for Ring-Opening Polymerization of ε-Caprolactone
• Authors of publication: Hao, Pengfei; Yang, Zhi; Li, Wenling; Ma, Xiaoli; Roesky, Herbert W.; Yang, Ying; Li, Jiarong
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 105
• a: 14.725 ± 0.002 Å
• b: 16.853 ± 0.002 Å
• c: 18.508 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4593 ± 1.1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No