Information card for entry 7040131

Structure parameters

• Formula: C41 H49 Al N2 O2
• Calculated formula: C41 H49 Al N2 O2
• SMILES: [Al]1(OC(C)(C)C)([n]2c(=C(c3n1c(cc3)c1c(cc(cc1C)C)C)c1ccccc1)ccc2c1c(cc(cc1C)C)C)OC(C)(C)C
• Title of publication: Aluminum alkoxide, amide and halide complexes supported by a bulky dipyrromethene ligand: synthesis, characterization, and preliminary ε-caprolactone polymerization activity.
• Authors of publication: Gianopoulos, Christopher G.; Kumar, Nishant; Zhao, Yihong; Jia, Li; Kirschbaum, Kristin; Mason, Mark R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 13787 - 13797
• a: 13.9055 ± 0.0003 Å
• b: 15.3152 ± 0.0003 Å
• c: 17.314 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3687.28 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0365
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No