Information card for entry 4089251

Structure parameters

• Formula: C36 H39 Al Cl2 N2 O2
• Calculated formula: C36 H39 Al Cl2 N2 O2
• SMILES: [Al]123(Oc4c(c5ccccc5)cccc4C=[N]3c3ccccc3[N]2=Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)C.C(Cl)Cl
• Title of publication: Well-Designed Unsymmetrical Salphen-Al Complexes: Synthesis, Characterization, and Ring-Opening Polymerization Catalysis
• Authors of publication: Luo, Wenlong; Shi, Tong; Liu, Shaofeng; Zuo, Weiwei; Li, Zhibo
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 9
• Pages of publication: 1736
• a: 14.193 ± 0.004 Å
• b: 8.996 ± 0.002 Å
• c: 24.859 ± 0.007 Å
• α: 90°
• β: 97.673 ± 0.004°
• γ: 90°
• Cell volume: 3145.6 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No