Information card for entry 7127394

Structure parameters

• Formula: C26 H27 Al Cl2 F6 N2 O3
• Calculated formula: C26 H27 Al Cl2 F6 N2 O3
• SMILES: [Al]123(Oc4c(cc(cc4C[N]41CCC[C@H]4[C@@H]1CCC[N]21CC(C(F)(F)F)(C(F)(F)F)O3)Cl)Cl)OCc1ccccc1
• Title of publication: Aluminium complexes of salanol ligands: coordination chemistry and stereoselective lactide polymerization.
• Authors of publication: Hador, Rami; Lipstman, Sophia; Rescigno, Raffaella; Venditto, Vincenzo; Kol, Moshe
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 88
• Pages of publication: 13528 - 13531
• a: 9.0833 ± 0.0006 Å
• b: 13.9679 ± 0.0008 Å
• c: 20.8666 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2647.4 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No