Information card for entry 4072905

Structure parameters

• Formula: C46 H53 Al N2 O4 S2
• Calculated formula: C46 H53 Al N2 O4 S2
• SMILES: S1(O[Al]2(OS(=O)(=[N]2c2c(cccc2C(C)C)C(C)C)c2ccc(cc2)C)([N]=1c1c(cccc1C(C)C)C(C)C)C#Cc1ccccc1)(=O)c1ccc(cc1)C
• Title of publication: Synthesis and Reactions of Aluminum Sulfonamide Alkyls and Hydride
• Authors of publication: Zhao, Jian; Song, Haibin; Cui, Chunming
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 1947
• a: 40.2284 ± 0.0005 Å
• b: 40.2284 ± 0.0005 Å
• c: 10.693 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17304.7 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No