Information card for entry 4089252

Structure parameters

• Formula: C37 H49 Al N2 O2
• Calculated formula: C37 H49 Al N2 O2
• SMILES: [Al]123(Oc4c(C=[N]2c2ccccc2[N]3=Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)cc(cc4C(C)(C)C)C(C)(C)C)C
• 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: 9.639 ± 0.003 Å
• b: 12.721 ± 0.002 Å
• c: 14.367 ± 0.002 Å
• α: 84.612 ± 0.01°
• β: 79.772 ± 0.01°
• γ: 71.288 ± 0.009°
• Cell volume: 1640.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2252
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No